well, it is the inpcrd file. I just realized that I am using AMOEBA force
field, so the inpcrd file format is different. And it can't be recognized by
sander.
I will probably have to go back to the old version of AMBER that
incorporated Darden's modification which worked for restrained atoms with
AMOEBA.
On Mon, Nov 15, 2010 at 7:52 PM, case <case.biomaps.rutgers.edu> wrote:
> On Mon, Nov 15, 2010, Dian Jiao wrote:
> >
> > It seems it is having problem reading the number of atoms from the refc
> > file, THe refc file I used has the same format as restrt, which looks
> like
> > this:
> >
> > %VERSION VERSION_STAMP = V0001.000 DATE = 11/10/10 22:36:28
> > %FLAG TITLE
> > %FORMAT(a)
>
> What you show is the beginning of a prmtop file, not a restart file. Make
> sure the refc file is indeed what it should be.
>
> ...dac
>
>
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Received on Mon Nov 15 2010 - 21:00:03 PST
