Interactive molecular dynamics question

From: Mare Libero (
Date: Sun Feb 09 2014 - 15:05:51 CST

Hello, I noticed that the performances of MD simulations with namd is somewhat slower when IMD is turned on. I was wondering if this is normal, or if I did something wrong in setting up the parameters. I am running NAMD_2.9_Linux-x86_64-multicore-CUDA and my IMD configuration is: IMDon           yes IMDport         3000    ;# port number (enter it in VMD) IMDfreq         1       ;# send every 1 frame IMDwait         yes      ;# wait for VMD to connect before running? The difference in speeds is not large (may be less than 10%), but for long simulations it will make the difference. Thanks in advance, Al

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