On Fri, 2013-11-22 at 19:37 +0530, sunita.tifrh.res.in wrote:
> Hi amber-users,
>
> Recently, installed AMBER12 where am performed REMD calculation. Earlier I
> worked with AMBER10. The forcefield is AMBER03. The mdout file created for
> the same mdin file look very different in AMBER10 and AMBER12. Just like
> in AMBER10 there is section in the mdout file which show REMD EXCHANGE
> CALCULATION. Which exactly was showing replica temperature and their
> potential energy and whether 'Success' is true (T) or false (F). There in
> no such section in the AMBER12 mdout file.
P.S. This information is all on page 132 of the Amber 12 manual.
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
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Received on Fri Nov 22 2013 - 07:00:04 PST
