CPPTRAJ: Trajectory Analysis. V16.00b OpenMP ___ ___ ___ ___ | \/ | \/ | \/ | _|_/\_|_/\_|_/\_|_ | Date/time: 06/08/18 09:00:18 | Available memory: 31.848 GB INPUT: Reading input from '/u/sciteam/ros/scratch/salt/nowater.cpptraj' [noexitonerror] Attempting to ignore errors if possible. [parm repartitioned.topo] Reading 'repartitioned.topo' as Amber Topology [trajin TRAJ/traj.1 1 last 10] Reading 'TRAJ/traj.1' as Amber NetCDF [trajin TRAJ/traj.2 1 last 10] Reading 'TRAJ/traj.2' as Amber NetCDF [trajin TRAJ/traj.3 1 last 10] Reading 'TRAJ/traj.3' as Amber NetCDF [trajin TRAJ/traj.4 1 last 10] Reading 'TRAJ/traj.4' as Amber NetCDF [trajin TRAJ/traj.5 1 last 10] Reading 'TRAJ/traj.5' as Amber NetCDF [trajin TRAJ/traj.6 1 last 10] Reading 'TRAJ/traj.6' as Amber NetCDF [trajin TRAJ/traj.7 1 last 10] Reading 'TRAJ/traj.7' as Amber NetCDF [trajin TRAJ/traj.8 1 last 10] Reading 'TRAJ/traj.8' as Amber NetCDF [trajin TRAJ/traj.9 1 last 10] Reading 'TRAJ/traj.9' as Amber NetCDF [trajin TRAJ/traj.10 1 last 10] Reading 'TRAJ/traj.10' as Amber NetCDF [trajin TRAJ/traj.11 1 last 10] Reading 'TRAJ/traj.11' as Amber NetCDF [trajin TRAJ/traj.12 1 last 10] Reading 'TRAJ/traj.12' as Amber NetCDF [trajin TRAJ/traj.13 1 last 10] Reading 'TRAJ/traj.13' as Amber NetCDF Warning: offset 10 is so large that only 1 set will be processed. [trajin TRAJ/traj.14 1 last 10] Reading 'TRAJ/traj.14' as Amber NetCDF [trajin TRAJ/traj.15 1 last 10] [trajin TRAJ/traj.16 1 last 10] [trajin TRAJ/traj.17 1 last 10] [trajin TRAJ/traj.18 1 last 10] [trajin TRAJ/traj.19 1 last 10] [trajin TRAJ/traj.20 1 last 10] [trajin TRAJ/traj.21 1 last 10] [trajin TRAJ/traj.22 1 last 10] [trajin TRAJ/traj.23 1 last 10] [trajin TRAJ/traj.24 1 last 10] [trajin TRAJ/traj.25 1 last 10] [trajin TRAJ/traj.26 1 last 10] [trajin TRAJ/traj.27 1 last 10] [trajin TRAJ/traj.28 1 last 10] [trajin TRAJ/traj.29 1 last 10] [trajin TRAJ/traj.30 1 last 10] [trajin TRAJ/traj.31 1 last 10] [trajin TRAJ/traj.32 1 last 10] [trajin TRAJ/traj.33 1 last 10] [trajin TRAJ/traj.34 1 last 10] [trajin TRAJ/traj.35 1 last 10] [trajin TRAJ/traj.36 1 last 10] [trajin TRAJ/traj.37 1 last 10] [trajin TRAJ/traj.38 1 last 10] [trajin TRAJ/traj.39 1 last 10] [trajin TRAJ/traj.40 1 last 10] [trajin TRAJ/traj.41 1 last 10] [trajin TRAJ/traj.42 1 last 10] [trajin TRAJ/traj.43 1 last 10] [trajin TRAJ/traj.44 1 last 10] [trajin TRAJ/traj.45 1 last 10] [trajin TRAJ/traj.46 1 last 10] [trajin TRAJ/traj.47 1 last 10] [trajin TRAJ/traj.48 1 last 10] [trajin TRAJ/traj.49 1 last 10] [trajin TRAJ/traj.50 1 last 10] [trajin TRAJ/traj.51 1 last 10] [trajin TRAJ/traj.52 1 last 10] [trajin TRAJ/traj.53 1 last 10] [trajin TRAJ/traj.54 1 last 10] [trajin TRAJ/traj.55 1 last 10] [trajin TRAJ/traj.56 1 last 10] [trajin TRAJ/traj.57 1 last 10] [trajin TRAJ/traj.58 1 last 10] [trajin TRAJ/traj.59 1 last 10] [trajin TRAJ/traj.60 1 last 10] [trajin TRAJ/traj.61 1 last 10] [trajin TRAJ/traj.62 1 last 10] [trajin TRAJ/traj.63 1 last 10] [trajin TRAJ/traj.64 1 last 10] [trajin TRAJ/traj.65 1 last 10] [trajin TRAJ/traj.66 1 last 10] [trajin TRAJ/traj.67 1 last 10] [trajin TRAJ/traj.68 1 last 10] [trajin TRAJ/traj.69 1 last 10] [trajin TRAJ/traj.70 1 last 10] [trajin TRAJ/traj.71 1 last 10] [trajin TRAJ/traj.72 1 last 10] [trajin TRAJ/traj.73 1 last 10] [trajin TRAJ/traj.74 1 last 10] [trajin TRAJ/traj.75 1 last 10] [trajin TRAJ/traj.76 1 last 10] [trajin TRAJ/traj.77 1 last 10] [trajin TRAJ/traj.78 1 last 10] [trajin TRAJ/traj.79 1 last 10] [trajin TRAJ/traj.80 1 last 10] [trajin TRAJ/traj.81 1 last 10] [trajin TRAJ/traj.82 1 last 10] [trajin TRAJ/traj.83 1 last 10] [trajin TRAJ/traj.84 1 last 10] [trajin TRAJ/traj.85 1 last 10] [trajin TRAJ/traj.86 1 last 10] [trajin TRAJ/traj.87 1 last 10] [trajin TRAJ/traj.88 1 last 10] [trajin TRAJ/traj.89 1 last 10] [trajin TRAJ/traj.90 1 last 10] [trajin TRAJ/traj.91 1 last 10] [trajin TRAJ/traj.92 1 last 10] [trajin TRAJ/traj.93 1 last 10] [trajin TRAJ/traj.94 1 last 10] [trajin TRAJ/traj.95 1 last 10] [trajin TRAJ/traj.96 1 last 10] [trajin TRAJ/traj.97 1 last 10] [trajin TRAJ/traj.98 1 last 10] [trajin TRAJ/traj.99 1 last 10] [trajin TRAJ/traj.100 1 last 10] [trajin TRAJ/traj.101 1 last 10] [trajin TRAJ/traj.102 1 last 10] [trajin TRAJ/traj.103 1 last 10] [trajin TRAJ/traj.104 1 last 10] [trajin TRAJ/traj.105 1 last 10] [trajin TRAJ/traj.106 1 last 10] [trajin TRAJ/traj.107 1 last 10] [trajin TRAJ/traj.108 1 last 10] [trajin TRAJ/traj.109 1 last 10] [trajin TRAJ/traj.110 1 last 10] [trajin TRAJ/traj.111 1 last 10] [trajin TRAJ/traj.112 1 last 10] [trajin TRAJ/traj.113 1 last 10] [trajin TRAJ/traj.114 1 last 10] [trajin TRAJ/traj.115 1 last 10] [trajin TRAJ/traj.116 1 last 10] [trajin TRAJ/traj.117 1 last 10] [trajin TRAJ/traj.118 1 last 10] [trajin TRAJ/traj.119 1 last 10] [trajin TRAJ/traj.120 1 last 10] [trajin TRAJ/traj.121 1 last 10] [trajin TRAJ/traj.122 1 last 10] [trajin TRAJ/traj.123 1 last 10] [trajin TRAJ/traj.124 1 last 10] [trajin TRAJ/traj.125 1 last 10] [trajin TRAJ/traj.126 1 last 10] [trajin TRAJ/traj.127 1 last 10] [trajin TRAJ/traj.128 1 last 10] [trajin TRAJ/traj.129 1 last 10] [trajin TRAJ/traj.130 1 last 10] [trajin TRAJ/traj.131 1 last 10] [trajin TRAJ/traj.132 1 last 10] [trajin TRAJ/traj.133 1 last 10] [trajin TRAJ/traj.134 1 last 10] [trajin TRAJ/traj.135 1 last 10] [trajin TRAJ/traj.136 1 last 10] [trajin TRAJ/traj.137 1 last 10] [trajin TRAJ/traj.138 1 last 10] [trajin TRAJ/traj.139 1 last 10] [trajin TRAJ/traj.140 1 last 10] [trajin TRAJ/traj.141 1 last 10] [trajin TRAJ/traj.142 1 last 10] [trajin TRAJ/traj.143 1 last 10] [trajin TRAJ/traj.144 1 last 10] [trajin TRAJ/traj.145 1 last 10] [trajin TRAJ/traj.146 1 last 10] [trajin TRAJ/traj.147 1 last 10] [trajin TRAJ/traj.148 1 last 10] [trajin TRAJ/traj.149 1 last 10] [trajin TRAJ/traj.150 1 last 10] [trajin TRAJ/traj.151 1 last 10] [trajin TRAJ/traj.152 1 last 10] [trajin TRAJ/traj.153 1 last 10] [trajin TRAJ/traj.154 1 last 10] [trajin TRAJ/traj.155 1 last 10] [trajin TRAJ/traj.156 1 last 10] [trajin TRAJ/traj.157 1 last 10] [trajin TRAJ/traj.158 1 last 10] [trajin TRAJ/traj.159 1 last 10] [trajin TRAJ/traj.160 1 last 10] [trajin TRAJ/traj.161 1 last 10] [trajin TRAJ/traj.162 1 last 10] [trajin TRAJ/traj.163 1 last 10] [trajin TRAJ/traj.164 1 last 10] [trajin TRAJ/traj.165 1 last 10] [trajin TRAJ/traj.166 1 last 10] [trajin TRAJ/traj.167 1 last 10] [trajin TRAJ/traj.168 1 last 10] [trajin TRAJ/traj.169 1 last 10] [trajin TRAJ/traj.170 1 last 10] [trajin TRAJ/traj.171 1 last 10] [trajin TRAJ/traj.172 1 last 10] [trajin TRAJ/traj.173 1 last 10] [trajin TRAJ/traj.174 1 last 10] [trajin TRAJ/traj.175 1 last 10] [trajin TRAJ/traj.176 1 last 10] [trajin TRAJ/traj.177 1 last 10] [trajin TRAJ/traj.178 1 last 10] [trajin TRAJ/traj.179 1 last 10] [trajin TRAJ/traj.180 1 last 10] [trajin TRAJ/traj.181 1 last 10] [trajin TRAJ/traj.182 1 last 10] [trajin TRAJ/traj.183 1 last 10] [trajin TRAJ/traj.184 1 last 10] [trajin TRAJ/traj.185 1 last 10] [trajin TRAJ/traj.186 1 last 10] [trajin TRAJ/traj.187 1 last 10] [trajin TRAJ/traj.188 1 last 10] [trajin TRAJ/traj.189 1 last 10] [trajin TRAJ/traj.190 1 last 10] [trajin TRAJ/traj.191 1 last 10] [trajin TRAJ/traj.192 1 last 10] [trajin TRAJ/traj.193 1 last 10] [trajin TRAJ/traj.194 1 last 10] [trajin TRAJ/traj.195 1 last 10] [trajin TRAJ/traj.196 1 last 10] [trajin TRAJ/traj.197 1 last 10] [trajin TRAJ/traj.198 1 last 10] [trajin TRAJ/traj.199 1 last 10] [trajin TRAJ/traj.200 1 last 10] [trajin TRAJ/traj.201 1 last 10] [trajin TRAJ/traj.202 1 last 10] [trajin TRAJ/traj.203 1 last 10] [trajin TRAJ/traj.204 1 last 10] [trajin TRAJ/traj.205 1 last 10] [trajin TRAJ/traj.206 1 last 10] [trajin TRAJ/traj.207 1 last 10] [trajin TRAJ/traj.208 1 last 10] [trajin TRAJ/traj.209 1 last 10] [trajin TRAJ/traj.210 1 last 10] [trajin TRAJ/traj.211 1 last 10] [trajin TRAJ/traj.212 1 last 10] [trajin TRAJ/traj.213 1 last 10] [trajin TRAJ/traj.214 1 last 10] [trajin TRAJ/traj.215 1 last 10] [trajin TRAJ/traj.216 1 last 10] [trajin TRAJ/traj.217 1 last 10] [trajin TRAJ/traj.218 1 last 10] [trajin TRAJ/traj.219 1 last 10] [trajin TRAJ/traj.220 1 last 10] [trajin TRAJ/traj.221 1 last 10] [trajin TRAJ/traj.222 1 last 10] [trajin TRAJ/traj.223 1 last 10] [trajin TRAJ/traj.224 1 last 10] [trajin TRAJ/traj.225 1 last 10] [trajin TRAJ/traj.226 1 last 10] [trajin TRAJ/traj.227 1 last 10] [trajin TRAJ/traj.228 1 last 10] [trajin TRAJ/traj.229 1 last 10] [trajin TRAJ/traj.230 1 last 10] [trajin TRAJ/traj.231 1 last 10] [trajin TRAJ/traj.232 1 last 10] [trajin TRAJ/traj.233 1 last 10] [trajin TRAJ/traj.234 1 last 10] [trajin TRAJ/traj.235 1 last 10] [trajin TRAJ/traj.236 1 last 10] [trajin TRAJ/traj.237 1 last 10] [trajin TRAJ/traj.238 1 last 10] [trajin TRAJ/traj.239 1 last 10] [trajin TRAJ/traj.240 1 last 10] [trajin TRAJ/traj.241 1 last 10] [trajin TRAJ/traj.242 1 last 10] [trajin TRAJ/traj.243 1 last 10] [trajin TRAJ/traj.244 1 last 10] [trajin TRAJ/traj.245 1 last 10] [trajin TRAJ/traj.246 1 last 10] [trajin TRAJ/traj.247 1 last 10] [trajin TRAJ/traj.248 1 last 10] [trajin TRAJ/traj.249 1 last 10] [trajin TRAJ/traj.250 1 last 10] [trajin TRAJ/traj.251 1 last 10] [trajin TRAJ/traj.252 1 last 10] [trajin TRAJ/traj.253 1 last 10] [trajin TRAJ/traj.254 1 last 10] [trajin TRAJ/traj.255 1 last 10] [trajin TRAJ/traj.256 1 last 10] [trajin TRAJ/traj.257 1 last 10] [trajin TRAJ/traj.258 1 last 10] [trajin TRAJ/traj.259 1 last 10] [trajin TRAJ/traj.260 1 last 10] [trajin TRAJ/traj.261 1 last 10] [trajin TRAJ/traj.262 1 last 10] [trajin TRAJ/traj.263 1 last 10] [trajin TRAJ/traj.264 1 last 10] [trajin TRAJ/traj.265 1 last 10] [trajin TRAJ/traj.266 1 last 10] [trajin TRAJ/traj.267 1 last 10] [trajin TRAJ/traj.268 1 last 10] [trajin TRAJ/traj.269 1 last 10] [trajin TRAJ/traj.270 1 last 10] [trajin TRAJ/traj.271 1 last 10] [trajin TRAJ/traj.272 1 last 10] [trajin TRAJ/traj.273 1 last 10] [trajin TRAJ/traj.274 1 last 10] [trajin TRAJ/traj.275 1 last 10] [trajin TRAJ/traj.276 1 last 10] [trajin TRAJ/traj.277 1 last 10] [trajin TRAJ/traj.278 1 last 10] [trajin TRAJ/traj.279 1 last 10] [trajin TRAJ/traj.280 1 last 10] [trajin TRAJ/traj.281 1 last 10] [trajin TRAJ/traj.282 1 last 10] [trajin TRAJ/traj.283 1 last 10] [trajin TRAJ/traj.284 1 last 10] [trajin TRAJ/traj.285 1 last 10] [trajin TRAJ/traj.286 1 last 10] [trajin TRAJ/traj.287 1 last 10] [trajin TRAJ/traj.288 1 last 10] [trajin TRAJ/traj.289 1 last 10] [trajin TRAJ/traj.290 1 last 10] [trajin TRAJ/traj.291 1 last 10] [trajin TRAJ/traj.292 1 last 10] [trajin TRAJ/traj.293 1 last 10] [trajin TRAJ/traj.294 1 last 10] [trajin TRAJ/traj.295 1 last 10] [trajin TRAJ/traj.296 1 last 10] [trajin TRAJ/traj.297 1 last 10] [trajin TRAJ/traj.298 1 last 10] [trajin TRAJ/traj.299 1 last 10] [trajin TRAJ/traj.300 1 last 10] [trajin TRAJ/traj.301 1 last 10] [trajin TRAJ/traj.302 1 last 10] [trajin TRAJ/traj.303 1 last 10] [trajin TRAJ/traj.304 1 last 10] [trajin TRAJ/traj.305 1 last 10] [trajin TRAJ/traj.306 1 last 10] [trajin TRAJ/traj.307 1 last 10] [trajin TRAJ/traj.308 1 last 10] [trajin TRAJ/traj.309 1 last 10] [trajin TRAJ/traj.310 1 last 10] [trajin TRAJ/traj.311 1 last 10] [trajin TRAJ/traj.312 1 last 10] [trajin TRAJ/traj.313 1 last 10] [trajin TRAJ/traj.314 1 last 10] [trajin TRAJ/traj.315 1 last 10] [trajin TRAJ/traj.316 1 last 10] [trajin TRAJ/traj.317 1 last 10] [trajin TRAJ/traj.318 1 last 10] [trajin TRAJ/traj.319 1 last 10] [trajin TRAJ/traj.320 1 last 10] [trajin TRAJ/traj.321 1 last 10] [trajin TRAJ/traj.322 1 last 10] [trajin TRAJ/traj.323 1 last 10] [trajin TRAJ/traj.324 1 last 10] [trajin TRAJ/traj.325 1 last 10] [trajin TRAJ/traj.326 1 last 10] [trajin TRAJ/traj.327 1 last 10] [trajin TRAJ/traj.328 1 last 10] [trajin TRAJ/traj.329 1 last 10] [trajin TRAJ/traj.330 1 last 10] [trajin TRAJ/traj.331 1 last 10] [trajin TRAJ/traj.332 1 last 10] [trajin TRAJ/traj.333 1 last 10] [trajin TRAJ/traj.334 1 last 10] [trajin TRAJ/traj.335 1 last 10] [trajin TRAJ/traj.336 1 last 10] [trajin TRAJ/traj.337 1 last 10] [trajin TRAJ/traj.338 1 last 10] [trajin TRAJ/traj.339 1 last 10] [trajin TRAJ/traj.340 1 last 10] [trajin TRAJ/traj.341 1 last 10] [trajin TRAJ/traj.342 1 last 10] [trajin TRAJ/traj.343 1 last 10] [trajin TRAJ/traj.344 1 last 10] [trajin TRAJ/traj.345 1 last 10] [trajin TRAJ/traj.346 1 last 10] [trajin TRAJ/traj.347 1 last 10] [trajin TRAJ/traj.348 1 last 10] [trajin TRAJ/traj.349 1 last 10] [trajin TRAJ/traj.350 1 last 10] [trajin TRAJ/traj.351 1 last 10] [trajin TRAJ/traj.352 1 last 10] [trajin TRAJ/traj.353 1 last 10] [trajin TRAJ/traj.354 1 last 10] [trajin TRAJ/traj.355 1 last 10] [trajin TRAJ/traj.356 1 last 10] [trajin TRAJ/traj.357 1 last 10] [trajin TRAJ/traj.358 1 last 10] [trajin TRAJ/traj.359 1 last 10] [trajin TRAJ/traj.360 1 last 10] [trajin TRAJ/traj.361 1 last 10] [trajin TRAJ/traj.362 1 last 10] [trajin TRAJ/traj.363 1 last 10] [trajin TRAJ/traj.364 1 last 10] [trajin TRAJ/traj.365 1 last 10] [trajin TRAJ/traj.366 1 last 10] [trajin TRAJ/traj.367 1 last 10] [trajin TRAJ/traj.368 1 last 10] [trajin TRAJ/traj.369 1 last 10] [trajin TRAJ/traj.370 1 last 10] [trajin TRAJ/traj.371 1 last 10] [trajin TRAJ/traj.372 1 last 10] [trajin TRAJ/traj.373 1 last 10] [trajin TRAJ/traj.374 1 last 10] [trajin TRAJ/traj.375 1 last 10] [trajin TRAJ/traj.376 1 last 10] [trajin TRAJ/traj.377 1 last 10] [trajin TRAJ/traj.378 1 last 10] [trajin TRAJ/traj.379 1 last 10] [trajin TRAJ/traj.380 1 last 10] [trajin TRAJ/traj.381 1 last 10] [trajin TRAJ/traj.382 1 last 10] [trajin TRAJ/traj.383 1 last 10] [trajin TRAJ/traj.384 1 last 10] [trajin TRAJ/traj.385 1 last 10] [trajin TRAJ/traj.386 1 last 10] [trajin TRAJ/traj.387 1 last 10] [trajin TRAJ/traj.388 1 last 10] [trajin TRAJ/traj.389 1 last 10] [trajin TRAJ/traj.390 1 last 10] [trajin TRAJ/traj.391 1 last 10] [trajin TRAJ/traj.392 1 last 10] [trajin TRAJ/traj.393 1 last 10] [trajin TRAJ/traj.394 1 last 10] [trajin TRAJ/traj.395 1 last 10] [trajin TRAJ/traj.396 1 last 10] [trajin TRAJ/traj.397 1 last 10] [trajin TRAJ/traj.398 1 last 10] [trajin TRAJ/traj.399 1 last 10] [trajin TRAJ/traj.400 1 last 10] [trajin TRAJ/traj.401 1 last 10] [trajin TRAJ/traj.402 1 last 10] [trajin TRAJ/traj.403 1 last 10] [trajin TRAJ/traj.404 1 last 10] [trajin TRAJ/traj.405 1 last 10] [trajin TRAJ/traj.406 1 last 10] [trajin TRAJ/traj.407 1 last 10] [trajin TRAJ/traj.408 1 last 10] [trajin TRAJ/traj.409 1 last 10] [trajin TRAJ/traj.410 1 last 10] [trajin TRAJ/traj.411 1 last 10] [trajin TRAJ/traj.412 1 last 10] [trajin TRAJ/traj.413 1 last 10] [trajin TRAJ/traj.414 1 last 10] [trajin TRAJ/traj.415 1 last 10] [trajin TRAJ/traj.416 1 last 10] [trajin TRAJ/traj.417 1 last 10] [trajin TRAJ/traj.418 1 last 10] [trajin TRAJ/traj.419 1 last 10] [trajin TRAJ/traj.420 1 last 10] [trajin TRAJ/traj.421 1 last 10] [trajin TRAJ/traj.422 1 last 10] [trajin TRAJ/traj.423 1 last 10] [trajin TRAJ/traj.424 1 last 10] [trajin TRAJ/traj.425 1 last 10] [trajin TRAJ/traj.426 1 last 10] [trajin TRAJ/traj.427 1 last 10] [trajin TRAJ/traj.428 1 last 10] [trajin TRAJ/traj.429 1 last 10] [trajin TRAJ/traj.430 1 last 10] [trajin TRAJ/traj.431 1 last 10] [trajin TRAJ/traj.432 1 last 10] [trajin TRAJ/traj.433 1 last 10] [trajin TRAJ/traj.434 1 last 10] [trajin TRAJ/traj.435 1 last 10] [trajin TRAJ/traj.436 1 last 10] [trajin TRAJ/traj.437 1 last 10] [trajin TRAJ/traj.438 1 last 10] [trajin TRAJ/traj.439 1 last 10] [trajin TRAJ/traj.440 1 last 10] [trajin TRAJ/traj.441 1 last 10] [trajin TRAJ/traj.442 1 last 10] [trajin TRAJ/traj.443 1 last 10] [trajin TRAJ/traj.444 1 last 10] [trajin TRAJ/traj.445 1 last 10] [trajin TRAJ/traj.446 1 last 10] [trajin TRAJ/traj.447 1 last 10] [trajin TRAJ/traj.448 1 last 10] [trajin TRAJ/traj.449 1 last 10] [trajin TRAJ/traj.450 1 last 10] [trajin TRAJ/traj.451 1 last 10] [trajin TRAJ/traj.452 1 last 10] [trajin TRAJ/traj.453 1 last 10] [trajin TRAJ/traj.454 1 last 10] [trajin TRAJ/traj.455 1 last 10] [trajin TRAJ/traj.456 1 last 10] [trajin TRAJ/traj.457 1 last 10] [trajin TRAJ/traj.458 1 last 10] [trajin TRAJ/traj.459 1 last 10] [trajin TRAJ/traj.460 1 last 10] [trajin TRAJ/traj.461 1 last 10] [trajin TRAJ/traj.462 1 last 10] [trajin TRAJ/traj.463 1 last 10] [trajin TRAJ/traj.464 1 last 10] [trajin TRAJ/traj.465 1 last 10] [trajin TRAJ/traj.466 1 last 10] [trajin TRAJ/traj.467 1 last 10] [trajin TRAJ/traj.468 1 last 10] [trajin TRAJ/traj.469 1 last 10] [trajin TRAJ/traj.470 1 last 10] [trajin TRAJ/traj.471 1 last 10] [trajin TRAJ/traj.472 1 last 10] [trajin TRAJ/traj.473 1 last 10] [trajin TRAJ/traj.474 1 last 10] [trajin TRAJ/traj.475 1 last 10] [trajin TRAJ/traj.476 1 last 10] [trajin TRAJ/traj.477 1 last 10] [trajin TRAJ/traj.478 1 last 10] [trajin TRAJ/traj.479 1 last 10] [trajin TRAJ/traj.480 1 last 10] [trajin TRAJ/traj.481 1 last 10] [trajin TRAJ/traj.482 1 last 10] [trajin TRAJ/traj.483 1 last 10] [trajin TRAJ/traj.484 1 last 10] [trajin TRAJ/traj.485 1 last 10] [trajin TRAJ/traj.486 1 last 10] [trajin TRAJ/traj.487 1 last 10] [trajin TRAJ/traj.488 1 last 10] [trajin TRAJ/traj.489 1 last 10] [trajin TRAJ/traj.490 1 last 10] [trajin TRAJ/traj.491 1 last 10] [trajin TRAJ/traj.492 1 last 10] [trajin TRAJ/traj.493 1 last 10] [trajin TRAJ/traj.494 1 last 10] [trajin TRAJ/traj.495 1 last 10] [trajin TRAJ/traj.496 1 last 10] [trajin TRAJ/traj.497 1 last 10] [trajin TRAJ/traj.498 1 last 10] [trajin TRAJ/traj.499 1 last 10] [trajin TRAJ/traj.500 1 last 10] [check @1,2,3,4,5 skipbadframes silent] CHECKSTRUCTURE: Checking atoms in mask '@1,2,3,4,5'. Number of problems in each frame will be saved to set 'CHECK_00001' Checking inter-atomic and bond distances. Warnings will be printed for bond lengths > eq + 1.15 Ang and non-bond distances < 0.80 Ang. Frames with problems will be skipped. Structure warning messages will be suppressed. Parallelizing calculation with 1 threads. [autoimage] AUTOIMAGE: To box center based on center of mass, anchor is first molecule. [strip :WAT] STRIP: Stripping atoms in mask [:WAT] [rms fit :1-24] RMSD: (:1-24), reference is first frame (:1-24). Best-fit RMSD will be calculated, coords will be rotated and translated. [trajout nowater.nc netcdf] Writing 'nowater.nc' as Amber NetCDF [go] ---------- RUN BEGIN ------------------------------------------------- PARAMETER FILES (1 total): 0: repartitioned.topo, 34360 atoms, 8693 res, box: Trunc. Oct., 8671 mol, 8311 solvent INPUT TRAJECTORIES (14 total): 0: 'traj.1' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 886 of 8855) 1: 'traj.2' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 865 of 8647) 2: 'traj.3' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 787 of 7869) 3: 'traj.4' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 847 of 8463) 4: 'traj.5' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 889 of 8883) 5: 'traj.6' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 886 of 8859) 6: 'traj.7' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 945 of 9448) 7: 'traj.8' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 940 of 9397) 8: 'traj.9' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 942 of 9417) 9: 'traj.10' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 944 of 9437) 10: 'traj.11' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 922 of 9212) 11: 'traj.12' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 946 of 9453) 12: 'traj.13' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 1 of 6) 13: 'traj.14' is a NetCDF AMBER trajectory, Parm repartitioned.topo (Trunc. Oct. box) (reading 7 of 68) Coordinate processing will occur on 10807 frames. OUTPUT TRAJECTORIES (1 total): 'nowater.nc' (10807 frames) is a NetCDF AMBER trajectory BEGIN TRAJECTORY PROCESSING: ..................................................... ACTION SETUP FOR PARM 'repartitioned.topo' (4 actions): 0: [check @1,2,3,4,5 skipbadframes silent] Mask [@1,2,3,4,5] corresponds to 5 atoms. Checking 4 bonds. Imaging on. 1: [autoimage] Original box is truncated octahedron, turning on 'familiar'. Anchor molecule is 1 The following molecules are fixed to anchor: 2 8669 molecules are mobile. 2: [strip :WAT] Stripping 33244 atoms. Stripped topology: 1116 atoms, 382 res, box: Trunc. Oct., 360 mol 3: [rms fit :1-24] Target mask: [:1-24](758) Reference mask: [:1-24](758) Warning: Coordinates are being rotated and box coordinates are present. Warning: Unit cell vectors are NOT rotated; imaging will not be possible Warning: after the RMS-fit is performed. ----- traj.1 (1-8855, 10) ----- 0% ----- traj.2 (1-8647, 10) ----- 10% ----- traj.3 (1-7869, 10) ----- 20% ----- traj.4 (1-8463, 10) ----- 30% ----- traj.5 (1-8883, 10) ----- ----- traj.6 (1-8859, 10) ----- 40% ----- traj.7 (1-9448, 10) ----- 50% ----- traj.8 (1-9397, 10) ----- 60% ----- traj.9 (1-9417, 10) ----- 70% ----- traj.10 (1-9437, 10) ----- 80% ----- traj.11 (1-9212, 10) ----- 90% ----- traj.12 (1-9453, 10) ----- ----- traj.13 (1-6, 10) ----- ----- traj.14 (1-68, 10) ----- 100% Complete. Read 10807 frames and processed 10807 frames. TIME: Avg. throughput= 19.3882 frames / second. ACTION OUTPUT: DATASETS (2 total): CHECK_00001 "CHECK_00001" (integer), size is 10807 fit "fit" (double, rms), size is 10807 RUN TIMING: TIME: Init : 0.0001 s ( 0.00%) TIME: Trajectory Process : 557.4000 s (100.00%) TIME: Action Post : 0.0000 s ( 0.00%) TIME: Analysis : 0.0000 s ( 0.00%) TIME: Data File Write : 0.0000 s ( 0.00%) TIME: Other : 0.0008 s ( 0.00%) TIME: Run Total 557.4009 s ---------- RUN END --------------------------------------------------- TIME: Total execution time: 559.1772 seconds. -------------------------------------------------------------------------------- To cite CPPTRAJ use: Daniel R. Roe and Thomas E. Cheatham, III, "PTRAJ and CPPTRAJ: Software for Processing and Analysis of Molecular Dynamics Trajectory Data". J. Chem. Theory Comput., 2013, 9 (7), pp 3084-3095. Application 67581463 resources: utime ~41s, stime ~198s, Rss ~43876, inblocks ~212687557, outblocks ~130257966