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User contributions for Aprabha

Results for Aprabha talk block log uploads logs

A user with 246 edits. Account created on 23 October 2014.

13:4913:49, 20 July 2015 diff hist +4 Talk:Mod:Hunt Research Group/MolCluster →Using MolCluster: Basic Instructions
13:4713:47, 20 July 2015 diff hist +12 Talk:Mod:Hunt Research Group/submit opt embedded.sh No edit summary current
13:4713:47, 20 July 2015 diff hist +431 N Talk:Mod:Hunt Research Group/submit opt embedded.sh Created page with "#!/bin/sh #PBS -l walltime=300:00:00 #PBS -lselect=1:ncpus=1:mem=32000mb #PBS -j oe #PBS -q pqph module load mpi module load intel-suite/2013 module load intel-suite/2012 mod..."
13:4613:46, 20 July 2015 diff hist +9 Talk:Mod:Hunt Research Group/MolCluster →Cutting Embedded Cluster
13:4513:45, 20 July 2015 diff hist +97 Talk:Mod:Hunt Research Group/MolCluster →Cutting Embedded Cluster
12:4212:42, 20 July 2015 diff hist +467 Talk:Mod:Hunt Research Group/MolCluster →Cutting Embedded Cluster
12:3012:30, 20 July 2015 diff hist +3 Talk:Mod:Hunt Research Group/MolCluster →Cutting Embedded Cluster
12:2812:28, 20 July 2015 diff hist +1,670 Talk:Mod:Hunt Research Group/MolCluster →Step-By-Step Example: Ionic Liquid Clusters
12:0412:04, 20 July 2015 diff hist +4,185 Talk:Mod:Hunt Research Group/MolCluster →Using MolCluster: Basic Instructions
10:3910:39, 20 July 2015 diff hist −10 Talk:Mod:Hunt Research Group/VmdScriptsMapCoMoverTraj →A script to draw the path of the centre of mass of a selection through an animation current
10:3810:38, 20 July 2015 diff hist −5 Talk:Mod:Hunt Research Group/VmdScriptsMapCoMoverTraj →A script to draw the path of the centre of mass of a selection through an animation
10:3810:38, 20 July 2015 diff hist +521 Talk:Mod:Hunt Research Group/VmdScriptsMapCoMoverTraj →A script to draw the path of the centre of mass of a selection through an animation
10:2910:29, 20 July 2015 diff hist +4,397 N Talk:Mod:Hunt Research Group/ChemShell Created page with "== Input for ChemShell == *To run a QM/MM optimisation, three input files are required: opt.chm cluster.pun ff.dat *MolCluster will not generate cluster.pun, but it gen..."
10:2810:28, 20 July 2015 diff hist +111 Mod:Hunt Research Group →Running QM/MM Simulations in ChemShell

10:3110:31, 15 July 2015 diff hist +16 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell

12:0212:02, 14 July 2015 diff hist −1,100 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
12:0112:01, 14 July 2015 diff hist 0 Talk:Mod:Hunt Research Group/VmdScriptsMapCoMoverTraj No edit summary
12:0112:01, 14 July 2015 diff hist 0 Talk:Mod:Hunt Research Group/VmdScriptsMapCoMoverTraj →A script to draws the path of the centre of mass of a selection through an animation
12:0012:00, 14 July 2015 diff hist +3,051 N Talk:Mod:Hunt Research Group/script Created page with "trajectory_path.tcl <pre #VMD --- start of VMD description block #Name: # Trajectory path #Synopsis: # Draws the path of the center of mass of a selection through an animati..." current
11:5911:59, 14 July 2015 diff hist +202 Talk:Mod:Hunt Research Group/VmdScriptsMapCoMoverTraj No edit summary
11:5711:57, 14 July 2015 diff hist +2,348 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
11:4211:42, 14 July 2015 diff hist +58 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
11:4111:41, 14 July 2015 diff hist +11 Talk:Mod:Hunt Research Group/Cu OW first solvation No edit summary current
11:4111:41, 14 July 2015 diff hist +188 N Talk:Mod:Hunt Research Group/Cu OW first solvation Created page with "163 577 172 856 1072 avg 1.95738611898 1.98604403421 2.02663568297 2.30819553 2.38186958662 2.13202619056 1.95323880652 1.98679562577 1.99993070032 2.18782708812 3.2163167381..."
11:4011:40, 14 July 2015 diff hist +559 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
11:3311:33, 14 July 2015 diff hist +3 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
11:1411:14, 14 July 2015 diff hist +4 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
10:5110:51, 14 July 2015 diff hist +1 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
10:5010:50, 14 July 2015 diff hist +221 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
10:4410:44, 14 July 2015 diff hist +41 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
10:4210:42, 14 July 2015 diff hist +209 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
10:3810:38, 14 July 2015 diff hist +281 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
10:3210:32, 14 July 2015 diff hist +96 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
10:2210:22, 14 July 2015 diff hist −7 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
10:2210:22, 14 July 2015 diff hist +5 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
10:1810:18, 14 July 2015 diff hist +78 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
10:1510:15, 14 July 2015 diff hist +1 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
10:1510:15, 14 July 2015 diff hist +1 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell

17:0417:04, 13 July 2015 diff hist +14 Talk:Mod:Hunt Research Group/submit opt.sh No edit summary current
17:0217:02, 13 July 2015 diff hist +95 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
16:5716:57, 13 July 2015 diff hist +143 N Talk:Mod:Hunt Research Group/ChemShell manual Created page with "http://www.cse.scitech.ac.uk/ccg/software/chemshell/manual/dl_poly.html http://www.cse.scitech.ac.uk/ccg/software/chemshell/manual/quantum.html" current
16:5716:57, 13 July 2015 diff hist +98 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
16:5516:55, 13 July 2015 diff hist +67 Talk:Mod:Hunt Research Group/MolCluster →Input for ChemShell
16:5316:53, 13 July 2015 diff hist +287 Talk:Mod:Hunt Research Group/VmdScriptsMapCoMoverTraj →A script to draws the path of the centre of mass of a selection through an animation
16:5016:50, 13 July 2015 diff hist +11 Talk:Mod:Hunt Research Group/HISTORY CuSO4 nH2O No edit summary current
16:4916:49, 13 July 2015 diff hist +1,922,720 N Talk:Mod:Hunt Research Group/HISTORY CuSO4 nH2O Created page with " Built with Packmol 0 1 6006 timestep 1 6006 0 1 0.001000..."
16:4016:40, 13 July 2015 diff hist +78 Talk:Mod:Hunt Research Group/VmdScriptsMapCoMoverTraj →A script to draws the path of the centre of mass of a selection through an animation
16:3316:33, 13 July 2015 diff hist −1 Talk:Mod:Hunt Research Group/VmdScriptsMapCoMoverTraj →A script to draws the path of the centre of mass of a selection through an animation
16:3316:33, 13 July 2015 diff hist +201 Talk:Mod:Hunt Research Group/VmdScriptsMapCoMoverTraj →A script to draws the path of the centre of mass of a selection through an animation
16:2816:28, 13 July 2015 diff hist +135 Talk:Mod:Hunt Research Group/VmdScriptsMapCoMoverTraj →A script to draws the path of the centre of mass of a selection through an animation

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