From: Chris Harrison (charris5_at_gmail.com)
Date: Sun Feb 09 2014 - 17:00:27 CST
Yes. Ryan McGreevy would know best, but to my best recollection, a 10% drop
On Sun, Feb 9, 2014 at 4:05 PM, Mare Libero <mareliber27_at_yahoo.com> wrote:
> 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,
-- Chris Harrison, Ph.D.
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