Re: [AMBER] tinker_to_amber doesn't like AMOEBA reference frames for chloride

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From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 11 Jun 2015 14:08:18 -0400

On Thu, Jun 11, 2015, David A Case wrote:

> On Thu, Jun 11, 2015, Baker, Lewis Robert wrote:
> >
> > (Atom #) (Atom #) 0 0 None -1.00000
> > 0.00000 0.00000 0.00000
> > 0.00000
> > 0.00000 0.00000
> > 0.00000 0.00000 0.00000
> >
>
> Apply the attached patch to your tinker_to_amber.F90 file. (You can
> either "cd $AMBERHOME; patch -p0 < tinker.patch", or just do this by hand.)
> Recompile tinker_to_amber and re-run.

Attached patch file changes it from a git-type patch to a more regular patch
file.

...dac

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text/plain attachment: tinker.patch

Received on Thu Jun 11 2015 - 11:30:03 PDT