Re: [AMBER] personalized addition of H atoms in proteins with tleap

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Tue, 25 May 2010 16:39:17 -0700

In general one should not modify the given parm.dat files, but rather
use a frcmod file to override the value(s) you want. This increases
your chances that you won't forget about the mod for your next project.

That said, how are you concluding that your changes are not being
seen? Diffing the prmtops?

Bill

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue May 25 2010 - 17:00:04 PDT
Custom Search