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Illinois Tools: NanoGromacsDemo

By Dairui Chen1, Derrick Kearney2, Jay Mashl1, Nahil Sobh1, Eric Jakobsson1

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

Implementation of the popular molecular dynamics software suite GROMACS

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Version 2.1.2 - published on 26 Aug 2014

doi:10.4231/D3599Z272 cite this

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Usage

World usage

Location of all "Illinois Tools: NanoGromacsDemo" Users Since Its Posting

Simulation Users

129

2 4 4 6 7 8 8 8 8 8 9 10 10 12 16 23 30 36 39 39 46 51 53 53 58 61 63 66 68 68 68 68 70 74 77 77 79 79 80 81 82 83 85 85 86 88 91 92 93 94 95 95 96 98 99 99 100 102 105 105 105 107 107 109 113 115 115 115 115 118 118 118 118 120 120 120 122 122 122 122 122 122 124 124 124 125 125 125 125 126 126 126 126 128 129 129

Users By Organization Type
Type Users
Educational - University 108 (83.08%)
Unidentified 8 (6.15%)
Industry 4 (3.08%)
Educational - Pre-College 3 (2.31%)
Government Agency 3 (2.31%)
Unemployed 2 (1.54%)
National Lab 2 (1.54%)
Users by Country of Residence
Country Users
us UNITED STATES 66 (62.26%)
in INDIA 17 (16.04%)
cn CHINA 4 (3.77%)
br BRAZIL 4 (3.77%)
es SPAIN 3 (2.83%)
ru RUSSIAN FEDERATION 3 (2.83%)
hr CROATIA 3 (2.83%)
de GERMANY 2 (1.89%)
bd BANGLADESH 2 (1.89%)
gb UNITED KINGDOM 2 (1.89%)

Simulation Runs

643

5 24 30 37 43 47 49 82 82 87 93 96 96 134 150 180 234 266 281 281 314 324 336 345 361 381 388 401 406 406 406 406 410 424 432 437 440 440 443 446 450 453 465 465 468 473 478 481 487 536 537 537 545 548 552 552 553 558 565 567 570 576 576 580 589 592 592 592 592 598 600 600 600 603 603 603 616 617 617 617 617 617 620 621 622 623 623 623 629 631 631 633 633 640 643 643
Overview
Average Total
Wall Clock Time 5.58 hours 51.35 days
CPU time 8.6 minutes 1.32 days
Interaction Time 2.18 hours 20.08 days

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