User contributions for Aprabha

13 July 2015

• 16:2116:21, 13 July 2015 diff hist +775 N Talk:Mod:Hunt Research Group/submit opt.sh Created page with "<pre>#!/bin/sh #PBS -l walltime=72:00:00 #PBS -lselect=1:ncpus=16:mem=64000mb #PBS -j oe module load dl_poly/2.19 module load mpi module load intel-suite/2013 module load int..."
• 16:1916:19, 13 July 2015 diff hist −755 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 16:1716:17, 13 July 2015 diff hist +81 Mod:Hunt Research Group →Visualisation
• 16:1416:14, 13 July 2015 diff hist +12 Talk:Mod:Hunt Research Group/recentre xyz.py No edit summary current
• 16:1316:13, 13 July 2015 diff hist +3,780 N Talk:Mod:Hunt Research Group/recentre xyz.py Created page with "#!/usr/bin/python # HOWTO: ./recentre_xyz.py <INPUT FILE> <OUTPUT FILE> <X TRANS> <Y TRANS> <Z TRANS> (<UNIT CELL LENGTH>) # # <INPUT FILE> = input xyz file # <OUTPUT FILE> =..."
• 16:1016:10, 13 July 2015 diff hist −17 Mod:Hunt Research Group →Visualisation
• 16:0916:09, 13 July 2015 diff hist +52 N Talk:Mod:Hunt Research Group/his2xyz.py Created page with "http://www.ccp5.ac.uk/DL_POLY_CLASSIC/FAQ/his2xyz.py"
• 16:0916:09, 13 July 2015 diff hist +199 Mod:Hunt Research Group →Visualisation

10 July 2015

• 14:3314:33, 10 July 2015 diff hist 0 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:4313:43, 10 July 2015 diff hist +15 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:4113:41, 10 July 2015 diff hist −1 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:4113:41, 10 July 2015 diff hist −2 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:4013:40, 10 July 2015 diff hist +3 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:3913:39, 10 July 2015 diff hist +74 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:3813:38, 10 July 2015 diff hist +81 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:3613:36, 10 July 2015 diff hist +116 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:3113:31, 10 July 2015 diff hist +227 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:2913:29, 10 July 2015 diff hist +829 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:2513:25, 10 July 2015 diff hist +280 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:2313:23, 10 July 2015 diff hist +64 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:2313:23, 10 July 2015 diff hist +55 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:2113:21, 10 July 2015 diff hist +65 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 13:1813:18, 10 July 2015 diff hist +10 Talk:Mod:Hunt Research Group/VmdScriptsLoad →A script to draws the path of the centre of mass of a selection through an animation
• 13:1713:17, 10 July 2015 diff hist −5 Talk:Mod:Hunt Research Group/VmdScriptsLoad →A script to draws the path of the centre of mass of a selection through an animation
• 13:1613:16, 10 July 2015 diff hist −78 Talk:Mod:Hunt Research Group/VmdScriptsLoad →A script to draws the path of the centre of mass of a selection through an animation
• 13:1613:16, 10 July 2015 diff hist +237 Talk:Mod:Hunt Research Group/VmdScriptsLoad →A script to draws the path of the centre of mass of a selection through an animation
• 13:1313:13, 10 July 2015 diff hist 0 Talk:Mod:Hunt Research Group/VmdScriptsLoad →A script to draws the path of the center of mass of a selection through an animation
• 12:5412:54, 10 July 2015 diff hist +40 Talk:Mod:Hunt Research Group/VmdScriptsLoad →A script to draws the path of the center of mass of a selection through an animation
• 12:5112:51, 10 July 2015 diff hist +4 Talk:Mod:Hunt Research Group/VmdScriptsLoad →A script to draws the path of the center of mass of a selection through an animation
• 12:5112:51, 10 July 2015 diff hist +50 Talk:Mod:Hunt Research Group/VmdScriptsLoad →A script to draws the path of the center of mass of a selection through an animation
• 12:4912:49, 10 July 2015 diff hist −6 Talk:Mod:Hunt Research Group/VmdScriptsLoad →visualise in VMD
• 10:1510:15, 10 July 2015 diff hist +1 Talk:Mod:Hunt Research Group/VmdScriptsLoad →visualise in VMD
• 10:1410:14, 10 July 2015 diff hist +64 Talk:Mod:Hunt Research Group/VmdScriptsLoad →visualise in VMD
• 10:1310:13, 10 July 2015 diff hist +118 Talk:Mod:Hunt Research Group/VmdScriptsLoad →A script to draws the path of the center of mass of a selection through an animation
• 10:1010:10, 10 July 2015 diff hist +236 Talk:Mod:Hunt Research Group/VmdScriptsLoad →A script to draws the path of the center of mass of a selection through an animation
• 10:0610:06, 10 July 2015 diff hist +12 Talk:Mod:Hunt Research Group/VmdScriptsLoad →Draws the path of the center of mass of a selection through an animation
• 10:0510:05, 10 July 2015 diff hist +78 Talk:Mod:Hunt Research Group/VmdScriptsLoad →Using scripts in VMD

3 July 2015

• 15:3815:38, 3 July 2015 diff hist −58 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 15:3315:33, 3 July 2015 diff hist +25 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 14:1114:11, 3 July 2015 diff hist +172 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
• 14:0714:07, 3 July 2015 diff hist +136 Talk:Mod:Hunt Research Group/MolCluster →To visualise in VMD
• 14:0214:02, 3 July 2015 diff hist 0 File:Figure IId.png Aprabha uploaded a new version of "File:Figure IId.png" current
• 13:5713:57, 3 July 2015 diff hist 0 N File:Figure IId.png No edit summary
• 12:2112:21, 3 July 2015 diff hist +3 Talk:Mod:Hunt Research Group/MolCluster →The Output Files
• 12:2012:20, 3 July 2015 diff hist +2 Talk:Mod:Hunt Research Group/MolCluster →The Output Files
• 12:1912:19, 3 July 2015 diff hist +174 Talk:Mod:Hunt Research Group/MolCluster →The Output Files
• 12:0612:06, 3 July 2015 diff hist 0 File:Figure IIa.png Aprabha uploaded a new version of "File:Figure IIa.png" current
• 12:0112:01, 3 July 2015 diff hist 0 File:Figure IIb.png Aprabha uploaded a new version of "File:Figure IIb.png" current
• 11:5911:59, 3 July 2015 diff hist 0 File:Figure IIa.png Aprabha uploaded a new version of "File:Figure IIa.png"
• 11:5211:52, 3 July 2015 diff hist +438 Talk:Mod:Hunt Research Group/MolCluster →The Output Files