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User contributions for Rpmatthe

Results for Rpmatthe talk block log uploads logs

A user with 324 edits. Account created on 15 April 2011.

14:5214:52, 19 July 2015 diff hist +3,585 N Talk:Mod:Hunt Research Group/sdfs generate Created page with "Generating Spatial Distribution Functions using TRAVIS M. Brehm and B. Kirchner; J. Chem. Inf. Model. 2011, 51, 2007-2023 In general, spatial distribution functions (SDFs) m..." current
14:5114:51, 19 July 2015 diff hist +1 Mod:Hunt Research Group →Visualisation
14:5014:50, 19 July 2015 diff hist −6 Mod:Hunt Research Group →Visualisation
14:5014:50, 19 July 2015 diff hist +136 Mod:Hunt Research Group →Visualisation

12:0412:04, 16 December 2014 diff hist −54 Mod:Hunt Research Group/calendar No edit summary

11:4911:49, 10 September 2014 diff hist +158 Mod:Hunt Research Group/calendar No edit summary

16:0116:01, 30 July 2014 diff hist +14 Talk:Mod:Hunt Research Group/Starting MD No edit summary
16:0016:00, 30 July 2014 diff hist +11 Talk:Mod:Hunt Research Group/Starting MD No edit summary
16:0016:00, 30 July 2014 diff hist +344 Talk:Mod:Hunt Research Group/Starting MD →quick relaxation
15:4615:46, 30 July 2014 diff hist +150 Mod:Hunt Research Group/conv xyz2conf No edit summary

08:1708:17, 14 April 2014 diff hist +14 Talk:Mod:Hunt Research Group/EnergyDrift No edit summary current
08:1608:16, 14 April 2014 diff hist +209 Talk:Mod:Hunt Research Group/EnergyDrift No edit summary
07:5607:56, 14 April 2014 diff hist −1 Talk:Mod:Hunt Research Group/EnergyDrift No edit summary

12:1512:15, 12 April 2014 diff hist +29 Talk:Mod:Hunt Research Group/EnergyDrift No edit summary
12:1412:14, 12 April 2014 diff hist 0 N File:MD screenshot-CA.png No edit summary current

16:2416:24, 11 April 2014 diff hist +112 Talk:Mod:Hunt Research Group/EnergyDrift No edit summary
16:2116:21, 11 April 2014 diff hist 0 N File:Screen-shot bmimcl 400K-corr.png No edit summary current
16:1916:19, 11 April 2014 diff hist +50 N File:Screen-shot bmimcl-incorrect shake.png Shake set at 1e-5 and not 1e-8 gives energy drift. current

22:0922:09, 10 April 2014 diff hist −9 Talk:Mod:Hunt Research Group/EnergyDrift No edit summary
22:0722:07, 10 April 2014 diff hist +13 Talk:Mod:Hunt Research Group/EnergyDrift No edit summary
22:0622:06, 10 April 2014 diff hist −1 Talk:Mod:Hunt Research Group/EnergyDrift No edit summary
22:0522:05, 10 April 2014 diff hist +4 Talk:Mod:Hunt Research Group/EnergyDrift No edit summary
22:0422:04, 10 April 2014 diff hist +7 Talk:Mod:Hunt Research Group/EnergyDrift No edit summary
22:0222:02, 10 April 2014 diff hist −2,863 Talk:Mod:Hunt Research Group/EnergyDrift No edit summary
21:5621:56, 10 April 2014 diff hist +4,138 N Talk:Mod:Hunt Research Group/EnergyDrift Created page with "When carrying out NPT and NVT simulations during equilibrations you make come across an drift in the Total Configuration Energy. This may have a positive or negative slope. An e..."
21:4721:47, 10 April 2014 diff hist +102 Mod:Hunt Research Group No edit summary

09:3209:32, 28 March 2014 diff hist +36 Mod:Hunt Research Group/calendar No edit summary
09:3009:30, 28 March 2014 diff hist +170 Mod:Hunt Research Group/calendar No edit summary

16:3616:36, 17 March 2014 diff hist +29 Mod:Hunt Research Group/calendar No edit summary

10:1110:11, 20 January 2014 diff hist −4 Mod:Hunt Research Group/calendar No edit summary
10:1110:11, 20 January 2014 diff hist +179 Mod:Hunt Research Group/calendar No edit summary

13:1913:19, 20 November 2013 diff hist +161 Mod:Hunt Research Group/calendar No edit summary
13:1713:17, 20 November 2013 diff hist +32 Mod:Hunt Research Group/calendar No edit summary
13:1713:17, 20 November 2013 diff hist +27 Mod:Hunt Research Group/calendar No edit summary

15:4515:45, 26 September 2013 diff hist +90 Mod:Hunt Research Group →Gaussian General

15:2815:28, 28 August 2013 diff hist −1 Mod:Hunt Research Group/calendar No edit summary

15:4915:49, 5 July 2013 diff hist +90 Mod:Hunt Research Group/calendar No edit summary
12:0312:03, 5 July 2013 diff hist −4 Mod:Hunt Research Group/calendar No edit summary

14:5814:58, 25 March 2013 diff hist −4 Mod:Hunt Research Group/calendar No edit summary
14:5814:58, 25 March 2013 diff hist +43 Mod:Hunt Research Group/calendar No edit summary

14:5714:57, 20 February 2013 diff hist +1,423 N Talk:Mod:Hunt Research Group/EquilibrationandProduction Created page with "This needs to be setup correctly!!! 2. run NPT -don't want the dynamic properties here because of the forces applied to keep the pressure constant, these directly effect the dy..."
14:5514:55, 20 February 2013 diff hist +1,101 N Talk:Mod:Hunt Research Group/VisualisingyourSimulation Created page with "After setup, NPT equilibration and running your NVT(NVE) simulation you will want to analyse your production phase trajectory. 1. Confirm your production run is actually equilib..."
12:3012:30, 20 February 2013 diff hist −464 Talk:Mod:Hunt Research Group/Ensembles No edit summary
12:3012:30, 20 February 2013 diff hist +28 Mod:Hunt Research Group →Setup and Running MD Simulations
12:2712:27, 20 February 2013 diff hist −1,383 Talk:Mod:Hunt Research Group/Visualising No edit summary current
12:2612:26, 20 February 2013 diff hist +855 Talk:Mod:Hunt Research Group/Equilibraton No edit summary current
12:2512:25, 20 February 2013 diff hist +10 Mod:Hunt Research Group →Setup and Running MD Simulations
12:2412:24, 20 February 2013 diff hist +49 Talk:Mod:Hunt Research Group/Visualising No edit summary
12:2212:22, 20 February 2013 diff hist +39 Talk:Mod:Hunt Research Group/Visualising No edit summary
12:2112:21, 20 February 2013 diff hist +34 Talk:Mod:Hunt Research Group/Ensembles No edit summary

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