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| Name | Last modified | Size | Description |
|---|---|---|---|---|
| Parent Directory | - | ||
| buildit-full.in | 2015-11-30 18:08 | 335 | |
| full-ff99.topo | 2015-11-30 18:08 | 552K | |
| full.topo.hmr | 2015-11-30 18:08 | 547K | |
| logfile | 2015-11-30 18:08 | 51K | |
| md-cpu-git.runit | 2015-11-30 18:08 | 403 | |
| non-randomized.crds | 2015-11-30 18:08 | 118K | |
| parmed-HMR.log | 2015-11-30 18:08 | 1.3K | |
| pt-randomize.log | 2015-11-30 18:08 | 2.2K | |
| set-waters-fixedions.pl | 2015-11-30 18:08 | 5.8K | |
| set-waters.log | 2015-11-30 18:08 | 707 | |
| step1.in | 2015-11-30 18:08 | 283 | |
| step1.rst | 2015-11-30 18:08 | 118K | |
| step2.in | 2015-11-30 18:08 | 426 | |
| step2.mdinfo | 2015-11-30 18:08 | 437 | |
| step2.out | 2015-11-30 18:08 | 176K | |
| step2.rst | 2015-11-30 18:08 | 235K | |
| step3.out | 2015-11-30 18:08 | 18K | |
| step3.rst | 2015-11-30 18:08 | 118K | |
| step4.in | 2015-11-30 18:08 | 292 | |
| step4.mdinfo | 2015-11-30 18:08 | 384 | |
| step4.out | 2015-11-30 18:08 | 18K | |
| buildit-full.log | 2015-11-30 18:08 | 4.9K | |
| equil.log | 2015-11-30 18:08 | 72 | |
| full.pdb | 2015-11-30 18:08 | 261K | |
| step4.rst | 2015-11-30 18:08 | 118K | |
| full.topo | 2015-11-30 18:08 | 547K | |
| init.pdb | 2015-11-30 18:08 | 4.1K | |
| leap.log | 2015-11-30 18:08 | 183K | |
| step5.in | 2015-11-30 18:08 | 235 | |
| logtest.o1223221 | 2015-11-30 18:08 | 1 | |
| step5.mdinfo | 2015-11-30 18:08 | 384 | |
| noWAt.topo.hmr | 2015-11-30 18:08 | 45K | |
| step5.out | 2015-11-30 18:08 | 18K | |
| step5.rst | 2015-11-30 18:08 | 118K | |
| non-randomized.pdb | 2015-11-30 18:08 | 261K | |
| parmed_Chen-Garcia.log | 2015-11-30 18:08 | 1.5K | |
| step6.in | 2015-11-30 18:08 | 429 | |
| pt-randomize.in | 2015-11-30 18:08 | 137 | |
| step6.mdinfo | 2015-11-30 18:08 | 597 | |
| rand.crds | 2015-11-30 18:08 | 118K | |
| step6.out | 2015-11-30 18:08 | 83K | |
| step1.mdinfo | 2015-11-30 18:08 | 384 | |
| step6.rst | 2015-11-30 18:08 | 235K | |
| step1.out | 2015-11-30 18:08 | 18K | |
| step3.in | 2015-11-30 18:08 | 292 | |
| step3.mdinfo | 2015-11-30 18:08 | 384 | |
| step7.in | 2015-11-30 18:08 | 434 | |
| step8.mdinfo | 2015-11-30 18:08 | 1.2K | |
| step7.mdinfo | 2015-11-30 18:08 | 1.2K | |
| step7.out | 2015-11-30 18:08 | 14M | |
| step7.rst | 2015-11-30 18:08 | 235K | |
| step8.out | 2015-11-30 18:08 | 14M | |
| step9.in | 2015-11-30 18:08 | 380 | |
| step9.mdinfo | 2015-11-30 18:08 | 1.2K | |
| step8.in | 2015-11-30 18:08 | 452 | |
| step8.rst | 2015-11-30 18:08 | 235K | |
| step9.out | 2015-11-30 18:08 | 6.6M | |
| step9.rst | 2015-11-30 18:08 | 235K | |