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step9.rst | 2015-12-21 15:20 | 237K | ||
step9.out | 2015-12-21 15:20 | 6.6M | ||
step9.mdinfo | 2015-12-21 15:20 | 1.2K | ||
step9.in | 2015-12-21 15:20 | 380 | ||
step8.rst | 2015-12-21 15:20 | 237K | ||
step8.out | 2015-12-21 15:20 | 14M | ||
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step8.in | 2015-12-21 15:20 | 452 | ||
step7.rst | 2015-12-21 15:20 | 237K | ||
step7.out | 2015-12-21 15:20 | 14M | ||
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step6.rst | 2015-12-21 15:20 | 237K | ||
step6.out | 2015-12-21 15:20 | 83K | ||
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step5.rst | 2015-12-21 15:20 | 119K | ||
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step4.rst | 2015-12-21 15:20 | 119K | ||
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step4.mdinfo | 2015-12-21 15:20 | 384 | ||
step4.in | 2015-12-21 15:20 | 292 | ||
step3.rst | 2015-12-21 15:20 | 119K | ||
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step3.mdinfo | 2015-12-21 15:20 | 384 | ||
step3.in | 2015-12-21 15:20 | 292 | ||
step2.rst | 2015-12-21 15:20 | 237K | ||
step2.out | 2015-12-21 15:20 | 177K | ||
step2.mdinfo | 2015-12-21 15:20 | 437 | ||
step2.in | 2015-12-21 15:20 | 426 | ||
step1.rst | 2015-12-21 15:20 | 119K | ||
step1.out | 2015-12-21 15:20 | 18K | ||
step1.mdinfo | 2015-12-21 15:20 | 384 | ||
step1.in | 2015-12-21 15:20 | 283 | ||
set-waters.log | 2015-12-21 15:20 | 658 | ||
set-waters-fixedions..> | 2015-12-21 15:20 | 5.8K | ||
rand.crds | 2015-12-21 15:20 | 119K | ||
pt-randomize.log | 2015-12-21 15:20 | 2.2K | ||
pt-randomize.in | 2015-12-21 15:20 | 134 | ||
parmed_Chen-Garcia.log | 2015-12-21 15:20 | 1.5K | ||
parmed-HMR.log | 2015-12-21 15:20 | 699 | ||
non-randomized.crds | 2015-12-21 15:20 | 118K | ||
noWAt.topo.hmr | 2015-12-21 15:20 | 42K | ||
md-cpu-git.runit | 2015-12-21 15:20 | 413 | ||
logtest.o1365630 | 2015-12-21 15:20 | 75 | ||
logfile | 2015-12-21 15:20 | 51K | ||
leap.log | 2015-12-21 15:20 | 166K | ||
init.pdb | 2015-12-21 15:20 | 4.3K | ||
full.topo.hmr | 2015-12-21 15:20 | 545K | ||
full.topo | 2015-12-21 15:20 | 545K | ||
full.pdb | 2015-12-21 15:20 | 263K | ||
full-ff99.topo | 2015-12-21 15:20 | 551K | ||
equil.log | 2015-12-21 15:20 | 72 | ||
buildit-vac.log | 2015-12-21 15:20 | 9.5K | ||
buildit-vac.in | 2015-12-21 15:20 | 207 | ||
buildit-full.log | 2015-12-21 15:20 | 3.8K | ||
buildit-full.in | 2015-12-21 15:20 | 344 | ||