Re: [AMBER] Acpype related problem : topology for GROMACS

From: Seketoulie Keretsu <sekekeretsu.gmail.com>
Date: Mon, 17 Dec 2018 22:20:09 +0900

Dear David A Chase,

I apologise but i cannot really follow what you're saying.
Should i change the "parmchk" to "parmchk2" in the acpype.py script ??

Thank you. - Seke

On Mon, Dec 17, 2018 at 10:13 PM David A Case <david.case.rutgers.edu> wrote:
>
> On Mon, Dec 17, 2018, Seketoulie Keretsu wrote:
> >
> >Thank you for the response. I have executed the environment setup
> >script (sanders, tleap etc can be called from console). I noticed in
> >the error report that "parmchk" has failed.
>
> That script needs to be updated: we have not included a "parmchk"
> executable for some time. "parmchk2" should be a drop-in substitute.
>
> ....dac
>
>
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Received on Mon Dec 17 2018 - 05:30:05 PST
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