On Sat, Sep 15, 2012, Revthi Sanker wrote:
>
> > I am facing problems in using the antechamber utility in amber. I have
> > done charge calculation using gaussian and trying to generate the prepi
> > file with my gaussian output. Unfortunately, antechamber is not able to
> > read the charge from the gaussian output file.I have used the following
> > antechamber command -
> >
> > antechamber -i gaussian.log -fi gout -o gaussian.prepin -fo prepi -c esp
As it happens, another user just ran into what looks like the same problem.
See the following post for a workaround:
http://archive.ambermd.org/201209/0370.html
(Apologies is this reply is out-dated, or a duplicate.)
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Sep 22 2012 - 06:00:02 PDT
