On Tue, Aug 06, 2013, Souvik Sur wrote:
>
> Excluding water molecules, my molecule contents 800 atoms, but I have to
> make .frcmod file for both including and excluding water.
> >
> > > I am trying to make .frcmod file from my .prepin file using the command
> >
> > > parmchk -i qd_ali.prepin -f prepi -o qd_ali.frcmod in AMBER 10, but got
The input file to antehcamber and parmchk should only contain a *single*
molecule. The other obvious suggestion is to upgrade to the current release
of AmberTools -- Amber10 is more than five years old, and lots of problems
have been fixed since its release.
...dac
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Received on Tue Aug 06 2013 - 07:00:02 PDT
