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.
How do I know between which two replica temperatures exchange is taking
place?
Please help me.
Sunita
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Fri Nov 22 2013 - 06:30:03 PST
