Re: [AMBER] Time step of 5 fs??

From: <steinbrt.rci.rutgers.edu>
Date: Wed, 3 Apr 2013 03:43:17 -0400 (EDT)

Hi,

technically yes, but for typical molecular systems, the integrator would
probably be way to coarse. So unless you can justify this very well for
the system you look at, I wouldn't recommend it.

Thomas

On Wed, April 3, 2013 2:59 am, HM wrote:
> Hi All,
> Is it possible to have a time step of 5 fs in Amber ?
>
> Thanks,
> HM
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>


Dr. Thomas Steinbrecher
formerly at the
BioMaps Institute
Rutgers University
610 Taylor Rd.
Piscataway, NJ 08854

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Received on Wed Apr 03 2013 - 01:00:02 PDT
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