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

From: David A Case <case.biomaps.rutgers.edu>
Date: Thu, 11 Jun 2015 14:05:58 -0400

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.

...good luck...dac



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Received on Thu Jun 11 2015 - 11:30:02 PDT
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