On Tue, May 26, 2015 at 11:50 AM, David A Case <case.biomaps.rutgers.edu>
wrote:
> On Tue, May 26, 2015, Dan Roe wrote:
> >
> > My interpretation of this is that when irest=1 the time is whatever is
> > in the restart file, otherwise it is whatever is specified by 't', or
> > zero if not specified. However in both sander and pmemd this is
> > currently not the case. The initial time is always taken from the
> > restart file; even when irest=0 and 't' is specified, the value of 't'
> > is overwritten by the one from the restart.
>
> I think this should be fixed, and agree with Dan's arguments about why.
>
​Same here.
--
Jason M. Swails
BioMaPS,
Rutgers University
Postdoctoral Researcher
_______________________________________________
AMBER-Developers mailing list
AMBER-Developers.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber-developers
Received on Tue May 26 2015 - 09:00:04 PDT
