On Thu, Aug 18, 2011 at 6:25 AM, madhumita das
<madhumita.bioinfo.gmail.com>wrote:
> I am using Parmchk to generate frcmod file,in order to do this,I have
> generated mol2 file using the server RED,but whenever i go to run parmchk
> ,following error comes
> Error: number of equivalent vdw parameters exceeds MAX_EQU_VDW,
> exit. I don't know what to do,pls help.
>
You could increase this value (grep helps here). Can you attach your mol2
file? I'm guessing that you're unnecessarily assigning many atoms different
types when they could be treated as the same.
HTH,
Jason
>
>
>
>
> Yours
> sincerely,
>
>
>
> Madhumita
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--
Jason M. Swails
Quantum Theory Project,
University of Florida
Ph.D. Candidate
352-392-4032
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Received on Thu Aug 18 2011 - 08:00:03 PDT
