From: Kang Hee Cho (gkdkang_at_gmail.com)
Date: Thu Mar 31 2011 - 10:56:47 CDT
I am attempting to simulate a protein(1QSU)
using SMD(steered Molecular Dynamics).
And I would you like to control temperature(300K)
using commands "reassignFreq[Temp]".
I want to know expression of command(reassignFreq[Temp])
used in NAMD.
X-PLOR use expression of velocity assignment.
Does NAMD use same expression?
And does reassignFreq parameter affect SMD result?
Please, could you recommend a paper or book related to
Thanks and regards,
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