Molecular Dynamics Showcase

By Michael McLennan1, Chen-Yu Li2, john stone3, Aleksei Aksimentiev2

1. Purdue University 2. University of Illinois at Urbana-Champaign 3. UIUC

View interesting features of a molecular dynamics trajectory file

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Version 1.07 - published on 08 Apr 2016

doi:10.4231/D35X25D82 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

55

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 55

Users By Organization Type
Type Users
Educational - University 30 (53.57%)
Unidentified 25 (44.64%)
Industry 1 (1.79%)
Users by Country of Residence
Country Users
us UNITED STATES 28 (93.33%)
cn CHINA 1 (3.33%)
in INDIA 1 (3.33%)

Simulation Runs

1,548

70 241 367 597 693 791 978 986 1036 1089 1095 1103 881 920 1010 1032 1056 1098 1168 1182 1192 1194 1196 1208 1218 1242 1244 1270 1288 1300 1548 1548
Overview
Average Total
Wall Clock Time 4.58 hours 146.41 days
CPU time 4.89 minutes 2.61 days
Interaction Time 1.51 hours 48.46 days