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buildit-vac.log | 2015-11-30 15:34 | 2.0K | ||
c36.out | 2015-11-30 15:34 | 8.5M | ||
equil.log | 2015-11-30 15:34 | 144 | ||
full.topo | 2015-11-30 15:34 | 601K | ||
full.topo.hmr | 2015-11-30 15:34 | 609K | ||
buildit-vac.in | 2015-11-30 15:34 | 78 | ||
init.pdb | 2015-11-30 15:34 | 3.9K | ||
c36.in | 2015-11-30 15:34 | 5.6K | ||
eq-dan_kepler.tcsh | 2015-11-30 15:34 | 5.3K | ||
ions.pdb | 2015-11-30 15:34 | 925 | ||
non-randomized.crds | 2015-11-30 15:34 | 118K | ||
parmed-HMR.in | 2015-11-30 15:34 | 59 | ||
full.pdb | 2015-11-30 15:34 | 261K | ||
pt-randomize.in | 2015-11-30 15:34 | 137 | ||
step1.in | 2015-11-30 15:34 | 283 | ||
init_charmm.pdb | 2015-11-30 15:34 | 4.4K | ||
leap.log | 2015-11-30 15:34 | 10K | ||
step1.mdinfo | 2015-11-30 15:34 | 462 | ||
step1.out | 2015-11-30 15:34 | 22K | ||
par_all36_na.prm | 2015-11-30 15:34 | 61K | ||
step2.in | 2015-11-30 15:34 | 426 | ||
parmed-HMR.log | 2015-11-30 15:34 | 1.1K | ||
step2.mdinfo | 2015-11-30 15:34 | 481 | ||
pt-randomize.log | 2015-11-30 15:34 | 2.4K | ||
step2.out | 2015-11-30 15:34 | 195K | ||
rand.crds | 2015-11-30 15:34 | 118K | ||
step2.rst | 2015-11-30 15:34 | 235K | ||
step1.rst | 2015-11-30 15:34 | 118K | ||
step3.rst | 2015-11-30 15:34 | 118K | ||
step3.in | 2015-11-30 15:34 | 292 | ||
step3.mdinfo | 2015-11-30 15:34 | 462 | ||
step4.in | 2015-11-30 15:34 | 292 | ||
step3.out | 2015-11-30 15:34 | 22K | ||
step4.rst | 2015-11-30 15:34 | 118K | ||
step4.mdinfo | 2015-11-30 15:34 | 462 | ||
step4.out | 2015-11-30 15:34 | 22K | ||
step5.mdinfo | 2015-11-30 15:34 | 462 | ||
step5.in | 2015-11-30 15:34 | 235 | ||
step5.out | 2015-11-30 15:34 | 21K | ||
step5.rst | 2015-11-30 15:34 | 118K | ||
step6.in | 2015-11-30 15:34 | 429 | ||
step6.out | 2015-11-30 15:34 | 89K | ||
step6.mdinfo | 2015-11-30 15:34 | 641 | ||
step6.rst | 2015-11-30 15:34 | 235K | ||
step7.in | 2015-11-30 15:34 | 434 | ||
step7.mdinfo | 2015-11-30 15:34 | 1.3K | ||
step7.out | 2015-11-30 15:34 | 15M | ||
step7.rst | 2015-11-30 15:34 | 235K | ||
step8.mdinfo | 2015-11-30 15:34 | 1.3K | ||
step8.rst | 2015-11-30 15:34 | 235K | ||
step9.in | 2015-11-30 15:34 | 380 | ||
step9.out | 2015-11-30 15:34 | 6.9M | ||
step8.in | 2015-11-30 15:34 | 452 | ||
step8.out | 2015-11-30 15:34 | 15M | ||
toppar_water_ions.str | 2015-11-30 15:34 | 8.9K | ||
uu_c36_cio.cor | 2015-11-30 15:34 | 5.0K | ||
uu_c36_cio.psf | 2015-11-30 15:34 | 18K | ||
uu_c36_vac.cor | 2015-11-30 15:34 | 4.2K | ||
uu_c36_vac.psf | 2015-11-30 15:34 | 17K | ||
step9.mdinfo | 2015-11-30 15:34 | 1.2K | ||
step9.rst | 2015-11-30 15:34 | 235K | ||
top_all36_na.rtf | 2015-11-30 15:34 | 37K | ||
uu_c36.cor | 2015-11-30 15:34 | 229K | ||
uu_c36.pdb | 2015-11-30 15:34 | 248K | ||
uu_c36.psf | 2015-11-30 15:34 | 535K | ||
uu_c36_cio.pdb | 2015-11-30 15:34 | 5.5K | ||
uu_c36_vac.pdb | 2015-11-30 15:34 | 4.6K | ||
wat1000.cor.tip3p | 2015-11-30 15:34 | 208K | ||
noWAt.topo.hmr | 2015-12-04 09:57 | 73K | ||