Re: [AMBER] Edit prmtop file

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Wed, 13 Jul 2011 10:31:18 -0700

> How about simply writing a pdb with one less water (mod.pdb) and then use
> leap, e.g. on tleap (after loading ff):
> mol = loadpdb mod.pdb
> saveamberparm mol mod.parm mod.rst

Don't forget to setbox after loadpdb if it's in a box.


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Received on Wed Jul 13 2011 - 11:00:03 PDT
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