Re: [AMBER] about run REMD(replica exchange molecular dynamic)

From: Jason Swails <jason.swails.gmail.com>
Date: Fri, 5 Jul 2013 14:20:22 -0400

On Fri, Jul 5, 2013 at 8:40 AM, David A Case <case.biomaps.rutgers.edu>wrote:

> On Thu, Jul 04, 2013, Jason Swails wrote:
>
> > At 600 K, a 2 fs time step may be too short.
>
> s/short/long/
>

*slaps forehead*

Yes, 2 fs is too long for high-temperature dynamics. Thanks for the
correction. 

-- 
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Jul 05 2013 - 11:30:04 PDT
Custom Search