Re: [AMBER] LINMIN FAILURE using amber 11

From: Bill Ross <ross.cgl.ucsf.EDU>
Date: Wed, 12 Jan 2011 09:44:50 -0800

One thing to consider is whether you need to minimize a lot.
Usually a few hundred steps is enough to set things up for
running md.

Bill

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Jan 12 2011 - 10:00:03 PST
Custom Search