Molecular Dynamics Showcase

By Michael McLennan1, Chen-Yu Li2, john stone2, Aleksei Aksimentiev2, George A. Howlett1

1. Purdue University 2. University of Illinois at Urbana-Champaign

View interesting features of a molecular dynamics trajectory file

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Version 1.15 - published on 25 Sep 2016

doi:10.4231/D30R9M52S cite this

Open source: license | download

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Usage

World usage

Location of all "Molecular Dynamics Showcase" Users Since Its Posting

Simulation Users

64

8 9 9 10 11 12 12 12 12 14 14 14 14 14 15 16 17 17 24 29 31 32 33 36 38 40 40 41 43 47 55 58 60 63 63 64

Users By Organization Type
Type Users
Educational - University 35 (53.85%)
Unidentified 29 (44.62%)
Industry 1 (1.54%)
Users by Country of Residence
Country Users
us UNITED STATES 32 (86.49%)
in INDIA 4 (10.81%)
cn CHINA 1 (2.7%)

Simulation Runs

1,732

54 161 183 371 461 551 738 746 796 847 853 861 881 920 1010 1032 1056 1098 1168 1182 1192 1194 1196 1208 1218 1242 1244 1270 1288 1300 1548 1568 1574 1604 1678 1732
Overview
Average Total
Wall Clock Time 4.54 hours 162.64 days
CPU time 4.39 minutes 2.62 days
Interaction Time 1.37 hours 49.11 days