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Illinois Tools: NanoGromacs

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 1.3.1 - published on 31 May 2011

doi:10.4231/D35T3G01C cite this

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Usage

World usage

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

Simulation Users

165

2 12 20 28 33 40 42 45 48 51 57 63 70 73 76 79 82 83 84 87 91 92 92 93 95 95 96 97 99 100 101 102 104 106 107 107 109 112 115 118 120 121 121 122 125 127 129 131 135 135 138 139 142 142 143 145 145 146 146 146 147 147 147 147 148 150 152 152 153 156 156 158 159 161 161 161 161 161 164 164 165

Users By Organization Type
Type Users
Educational - University 141 (85.45%)
Unidentified 7 (4.24%)
Industry 6 (3.64%)
National Lab 5 (3.03%)
Educational - Pre-College 3 (1.82%)
Government Agency 2 (1.21%)
Unemployed 1 (0.61%)
Users by Country of Residence
Country Users
us UNITED STATES 71 (53.38%)
in INDIA 27 (20.3%)
ca CANADA 7 (5.26%)
fr FRANCE 6 (4.51%)
gb UNITED KINGDOM 5 (3.76%)
it ITALY 4 (3.01%)
br BRAZIL 4 (3.01%)
au AUSTRALIA 3 (2.26%)
bd BANGLADESH 3 (2.26%)
hr CROATIA 3 (2.26%)

Simulation Runs

1,511

6 57 145 254 301 354 363 371 378 403 419 532 572 608 644 1088 1093 1094 1109 1137 1156 1168 1183 1206 1213 1217 1220 1224 1228 1263 1265 1266 1272 1276 1299 1307 1319 1325 1331 1349 1353 1358 1358 1361 1367 1373 1378 1382 1390 1390 1398 1407 1411 1411 1412 1416 1420 1423 1423 1423 1424 1424 1424 1426 1427 1429 1434 1435 1442 1446 1457 1468 1469 1472 1472 1472 1472 1474 1487 1502 1511
Overview
Average Total
Wall Clock Time 3.85 hours 134.76 days
CPU time 47.58 seconds 11.09 hours
Interaction Time 1.58 hours 55.28 days

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