On Sun, Jun 2, 2013 at 12:59 PM, live <zlzuo.live.com> wrote:
> Dear all,
>
>
>
> I got a message as following when I want to save the top and crd file using
> polarizable force field.
>
> Building topology.
>
> Building atom parameters.
>
> Building bond parameters.
>
> Building angle parameters.
>
> Building proper torsion parameters.
>
> Building improper torsion parameters.
>
> total 197 improper torsions applied
>
> Building H-Bond parameters.
>
> Conflict: polarizable prmtop can not have IPOL <= 0.
>
> Please change IPOL in frcmod/parmxx.dat or set default IPOL.
>
Did you try this? Try adding the command
set default IPOL 1
before the saveamberparm command.
HTH,
Jason
--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Sun Jun 02 2013 - 15:00:02 PDT
