Re: [AMBER] restraintmask: select residues around the coordinates of a point

From: Thomas Evangelidis <tevang3.gmail.com>
Date: Tue, 26 Jul 2016 00:02:09 +0200

Thanks you, it works now. This could be the next patch :)
Btw, can this limit be greater than 256 without causing problems to other
points of the code?

On 25 July 2016 at 23:03, David A Case <david.case.rutgers.edu> wrote:

> On Mon, Jul 25, 2016, Thomas Evangelidis wrote:
> >
> > ambmask -p crystal_complex.prmtop -c crystal_complex.inpcrd -out pdb
> -find
>
> Didn't sink in that you were running ambmask. You should be able to
> edit line 37 of ambmask.F90 (in $AMBERHOME/AmberTools/src/sander), and
> recompile.
>
> ....dac
>
>
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-- 
======================================================================
Thomas Evangelidis
Research Specialist
CEITEC - Central European Institute of Technology
Masaryk University
Kamenice 5/A35/1S081,
62500 Brno, Czech Republic
email: tevang.pharm.uoa.gr
          tevang3.gmail.com
website: https://sites.google.com/site/thomasevangelidishomepage/
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Received on Mon Jul 25 2016 - 15:30:03 PDT
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