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 1.0.2 - published on 14 Nov 2014

doi:10.4231/D3PC2T958 cite this

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Usage

World usage

Location of all "MD Simulation" Users Since Its Posting

Simulation Users

774

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 97 101 107 119 124 125 133 135 141 146 156 163 169 175 183 196 206 212 222 226 238 251 258 266 269 280 289 301 306 315 323 333 341 345 352 357 362 366 377 382 386 393 402 408 416 421 426 431 436 440 445 451 458 462 465 470 479 489 496 500 505 510 519 527 532 540 545 551 560 566 569 577 582 587 592 597 602 608 610 618 627 628 636 639 643 646 652 657 661 664 668 672 678 685 693 694 694 698 709 718 724 726 732 741 746 748 750 752 758 761 767 770 774

Users By Organization Type
Type Users
Educational - University 444 (57.14%)
Unidentified 277 (35.65%)
Industry 21 (2.7%)
National Lab 17 (2.19%)
Government Agency 7 (0.9%)
Unemployed 6 (0.77%)
Educational - Pre-College 5 (0.64%)
Users by Country of Residence
Country Users
us UNITED STATES 213 (55.47%)
in INDIA 78 (20.31%)
cn CHINA 24 (6.25%)
kr KOREA, REPUBLIC OF 16 (4.17%)
fr FRANCE 12 (3.13%)
ca CANADA 9 (2.34%)
ru RUSSIAN FEDERATION 9 (2.34%)
gb UNITED KINGDOM 8 (2.08%)
de GERMANY 8 (2.08%)
it ITALY 7 (1.82%)

Simulation Runs

2,385

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 1503 1510 1519 1534 1544 1549 1561 1576 1615 1629 1638 1653 1668 1693 1703 1721 1738 1755 1770 1793 1810 1818 1831 1838 1851 1869 1884 1893 1904 1909 1925 1950 1955 1969 1979 1988 2000 2014 2023 2028 2038 2045 2055 2066 2079 2098 2100 2100 2105 2149 2167 2189 2195 2221 2246 2262 2276 2283 2291 2302 2310 2324 2344 2385
Overview
Average Total
Wall Clock Time 4.46 hours 165.52 days
CPU time 46.25 seconds 11.45 hours
Interaction Time 1.2 hours 44.67 days