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

From: David A Case <david.case.rutgers.edu>
Date: Mon, 25 Jul 2016 15:03:06 -0600

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


_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jul 25 2016 - 14:30:02 PDT