From: Mare Libero (mareliber27_at_yahoo.com)
Date: Sun Feb 09 2014 - 15:05:51 CST
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:
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,
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