From: Gianluca Interlandi (gianluca_at_u.washington.edu)
Date: Wed Mar 28 2012 - 21:48:40 CDT
Hi,
If using GBIS+SASA in NAMD, are there any restrictions on what thermostat
to use? Is it ok to use Langevin (langevinHydrogen off)? Probably, no
pressure control is needed. Is it necessary to use 1 fs time step? Is it a
bad idea to use 2 fs + rigidBonds?
Thanks,
Gianluca
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Gianluca Interlandi, PhD gianluca_at_u.washington.edu
+1 (206) 685 4435
http://artemide.bioeng.washington.edu/
Postdoc at the Department of Bioengineering
at the University of Washington, Seattle WA U.S.A.
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