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MD Simulation

By Sanket S Mahajan1, Ganesh Subbarayan1, Xufeng Wang1

1. Purdue University

Code to perform Molecular Dynamics (MD) Simulations

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Version 1.0.1 - published on 20 Oct 2009

doi:10.4231/D37S7HS1W cite this

This tool is closed source.

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See also

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Usage

World usage

Location of all "MD Simulation" Users Since Its Posting

Simulation Users

504

7 7 7 7 7 7 7 7 7 7 7 7 8 17 26 29 35 39 42 49 56 61 68 74 78 85 89 91 93 97 101 107 119 124 125 133 135 141 146 156 163 169 175 183 196 206 212 222 226 238 251 258 266 269 280 289 301 306 315 323 333 341 345 352 357 362 366 377 382 386 393 402 408 416 421 426 431 436 440 445 451 458 462 465 470 479 489 496 500 504

Users By Organization Type
Type Users
Educational - University 390 (77.08%)
Unidentified 66 (13.04%)
Industry 18 (3.56%)
National Lab 15 (2.96%)
Unemployed 6 (1.19%)
Government Agency 6 (1.19%)
Educational - Pre-College 5 (0.99%)
Users by Country of Residence
Country Users
us UNITED STATES 183 (54.3%)
in INDIA 67 (19.88%)
cn CHINA 21 (6.23%)
kr KOREA, REPUBLIC OF 16 (4.75%)
fr FRANCE 11 (3.26%)
ru RUSSIAN FEDERATION 9 (2.67%)
ca CANADA 9 (2.67%)
gb UNITED KINGDOM 7 (2.08%)
de GERMANY 7 (2.08%)
it ITALY 7 (2.08%)

Simulation Runs

1,654

34 34 44 44 44 44 44 44 44 44 44 47 51 69 86 93 105 111 118 135 148 157 174 186 195 210 220 264 271 281 460 486 510 526 528 546 568 582 594 612 628 652 672 699 751 779 804 837 845 867 906 929 945 966 998 1071 1113 1124 1156 1173 1195 1213 1233 1250 1266 1328 1337 1354 1364 1372 1395 1415 1427 1442 1453 1466 1489 1496 1508 1515 1524 1539 1549 1554 1566 1581 1620 1634 1643 1654
Overview
Average Total
Wall Clock Time 4.66 hours 119.34 days
CPU time 1.04 minutes 10.7 hours
Interaction Time 38.02 minutes 16.24 days

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