Thanks for these information.
Sunita
> 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 - 09:00:02 PST
