Molecular Dynamics Showcase

By Michael McLennan1; Chen-Yu Li2; john stone2; Aleksei Aksimentiev2; George A. Howlett1

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

View interesting features of a molecular dynamics trajectory file

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Version 1.18 - published on 18 Oct 2016

doi:10.4231/D3P843X2X cite this

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Usage

World usage

Location of all "Molecular Dynamics Showcase" Users Since Its Posting

Cumulative Simulation Users

265

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 58 60 63 63 64 75 84 86 87 92 99 102 105 110 113 115 116 121 124 124 126 129 133 135 138 138 138 139 141 144 147 148 153 155 155 158 161 162 162 165 167 167 168 170 171 171 173 177 178 179 180 183 187 187 190 192 194 195 206 208 211 212 218 220 222 224 226 229 231 232 232 234 236 236 238 238 240 241 243 245 245 248 250 252 253 255 260 261 262 262 263 263 264 264 265

Simulation Runs

2,622

54 161 183 371 461 551 738 746 796 847 853 861 881 920 1010 1032 1056 1098 1168 1182 1192 1194 1196 1208 1218 1242 1244 1270 1288 1300 1548 1568 1574 1604 1678 1744 1954 1998 2004 2012 2026 2072 2108 2118 2134 2142 2158 2162 2176 2196 2196 2200 2208 2220 2226 2234 2234 2236 2238 2244 2252 2258 2260 2278 2284 2284 2296 2302 2304 2306 2312 2316 2318 2324 2328 2330 2330 2336 2348 2350 2352 2354 2364 2372 2372 2378 2383 2387 2389 2457 2461 2469 2471 2486 2490 2494 2498 2504 2516 2520 2524 2524 2530 2536 2536 2544 2544 2556 2558 2564 2568 2570 2580 2586 2590 2592 2600 2610 2612 2614 2614 2616 2616 2618 2620 2622
Overview
Average Total
Wall Clock Time 3.59 hours 195.01 days
CPU time 3.05 minutes 2.76 days
Interaction Time 1.22 hours 66.18 days