Re: NAMD equilibrium step

From: Brian Radak (
Date: Tue Aug 23 2016 - 13:55:47 CDT

I'm not sure I understand your question. Descriptions for all of the
NAMD options are listed in the user guide. Checking this one find that
the timestep parameter is in femtoseconds. Most users usually choose a
single timestep for all simulations, whether they are being used as
equilibration or production. In certain (unusual) instances, it might be
useful/necessary to begin with a smaller timestep.



On 08/22/2016 12:34 AM, wrote:
> I want to know in the equilibrium step do I need to change the NAMD GUI->
> other simulation parameters -> timestepping(femtoseconds)??? Do I need to
> change the timestepping or not if I want to run equlibrium for 2ns??? what
> is the relation between timesteos and nanosec???

Brian Radak
Postdoctoral Scholar
Gordon Center for Integrative Science, W323A
Department of Biochemistry & Molecular Biology
University of Chicago
929 E. 57th St.
Chicago, IL 60637-1454
Tel: 773/834-2812

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