File list
From CHARMM tutorial
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| Date | Name | Thumbnail | Size | User | Description | Versions |
|---|---|---|---|---|---|---|
| 17:20, 30 December 2009 | Initial-minimization.inp (file) |  |
642 bytes | Tim | input of initial minimization | 1 |
| 17:06, 29 December 2009 | Append.inp (file) | |
645 bytes | Tim | Append file for Crambin | 1 |
| 17:06, 29 December 2009 | Setup.inp (file) | |
939 bytes | Tim | setup file for crambin. | 1 |
| 12:34, 31 December 2009 | Final-minimization.inp (file) | |
2 KB | Tim | PBC minimization input file | 1 |
| 17:07, 4 December 2013 | QSAR 12.png (file) |  |
2 KB | Tim | 1 | |
| 12:49, 8 January 2010 | Md-analysis.inp (file) | |
2 KB | Tim | Input file for analysis | 1 |
| 22:15, 5 January 2010 | Addions.str (file) | |
2 KB | Tim | addions stream file for neutralization | 1 |
| 22:15, 5 January 2010 | Md-heat.inp (file) | |
2 KB | Tim | MD heating file | 1 |
| 20:01, 28 January 2009 | 1crn 1.inp (file) | |
3 KB | Tim | Stefan's first example input script for Crambin. | 1 |
| 22:16, 5 January 2010 | Md-equil.inp (file) | |
3 KB | Tim | MD equilibration script | 1 |
| 16:49, 4 December 2013 | SAR 12.png (file) |  |
3 KB | Tim | 1 | |
| 15:31, 31 December 2009 | Solvate.inp (file) | |
3 KB | Tim | We don't need the label statement in this file... | 2 |
| 17:04, 4 December 2013 | QSAR 1.png (file) |  |
4 KB | Tim | 1 | |
| 17:53, 30 December 2009 | Neutralize.inp (file) | |
4 KB | Tim | neutralization input file | 1 |
| 14:38, 12 January 2016 | DD walkthrough 14.jpg (file) |  |
7 KB | Tim | 1 | |
| 12:50, 8 January 2010 | Md-analysis.out (file) | |
13 KB | Tim | Output from md-analysis | 1 |
| 17:54, 30 December 2009 | Neutralize.out (file) | |
15 KB | Tim | neutralization output file | 1 |
| 15:18, 5 April 2014 | Installer.sh (file) | |
18 KB | Tim | Installation file for CHARMMing. | 1 |
| 12:35, 31 December 2009 | Initital-minimization.out (file) | |
20 KB | Tim | Reverted to version as of 22:21, 30 December 2009 | 3 |
| 14:35, 12 January 2016 | DD walkthrough 5.jpg (file) |  |
23 KB | Tim | 1 | |
| 14:37, 12 January 2016 | DD walkthrough 11.jpg (file) |  |
25 KB | Tim | 1 | |
| 16:40, 17 March 2010 | Graph-cutoff.png (file) |  |
25 KB | Tim | Change ctonnb from 8 A to 12 A | 5 |
| 18:33, 3 December 2013 | SAR 3.png (file) |  |
31 KB | Tim | 1 | |
| 21:05, 3 December 2013 | SAR 5.png (file) |  |
34 KB | Tim | 1 | |
| 17:05, 4 December 2013 | QSAR 6.png (file) |  |
35 KB | Tim | 1 | |
| 01:11, 15 July 2008 | Neut-output.png (file) |  |
35 KB | WikiSysop | 1 | |
| 01:07, 15 July 2008 | Ourlogo.png (file) |  |
35 KB | WikiSysop | 1 | |
| 01:11, 15 July 2008 | Header2.png (file) |  |
35 KB | WikiSysop | 1 | |
| 21:05, 3 December 2013 | SAR 6.png (file) |  |
37 KB | Tim | 1 | |
| 17:05, 4 December 2013 | QSAR 4.png (file) |  |
37 KB | Tim | 1 | |
| 17:05, 4 December 2013 | QSAR 7.png (file) |  |
38 KB | Tim | 1 | |
| 17:07, 4 December 2013 | QSAR 11.png (file) |  |
38 KB | Tim | 1 | |
| 17:05, 4 December 2013 | QSAR 5.png (file) |  |
39 KB | Tim | 1 | |
| 17:04, 4 December 2013 | QSAR 2.png (file) |  |
44 KB | Tim | 1 | |
| 12:35, 31 December 2009 | Final-minimization.out (file) | |
45 KB | Tim | final PBC minimization output | 1 |
| 20:00, 28 January 2009 | 1crn init.crd (file) | |
45 KB | Tim | Initial coordinates of 1CRN for Stefan's first CHARMM example. | 1 |
| 21:05, 3 December 2013 | SAR 4.png (file) |  |
45 KB | Tim | 1 | |
| 14:36, 12 January 2016 | DD walkthrough 8.jpg (file) |  |
45 KB | Tim | 1 | |
| 17:11, 29 December 2009 | 1cbn-a.pdb (file) | |
50 KB | Tim | Parsed PDB file for 1CBN, segment A (no hetatoms) only. | 1 |
| 16:34, 17 March 2010 | Bullseye-cutoff.png (file) |  |
50 KB | Tim | change ctonnb from 8 to 10 | 3 |
| 18:30, 3 December 2013 | SAR 1.png (file) |  |
50 KB | Tim | 1 | |
| 17:07, 4 December 2013 | QSAR 10.png (file) |  |
53 KB | Tim | 1 | |
| 12:48, 8 January 2010 | Dcor.png (file) |  |
54 KB | Tim | Time correlation function graph | 1 |
| 16:49, 4 December 2013 | SAR 11.png (file) |  |
54 KB | Tim | 1 | |
| 17:05, 4 December 2013 | QSAR 3.png (file) |  |
56 KB | Tim | 1 | |
| 18:52, 16 June 2009 | Images.png (file) |  |
56 KB | Hlwoodcock | 2 | |
| 14:35, 12 January 2016 | DD walkthrough 4.jpg (file) |  |
63 KB | Tim | 1 | |
| 18:33, 3 December 2013 | SAR 2.png (file) |  |
66 KB | Tim | 1 | |
| 17:05, 4 December 2013 | QSAR 8.png (file) |  |
71 KB | Tim | 1 | |
| 17:06, 4 December 2013 | QSAR 9.png (file) |  |
72 KB | Tim | 1 |
