Re: [AMBER] Error with TIP4P

Contemporary messages sorted: [ by date ] [ by thread ] [ by subject ] [ by author ] [ by messages with attachments ]

From: George M Giambasu <giambasu.gmail.com>
Date: Thu, 10 Jan 2013 11:57:44 -0500

Have you set "set default FlexibleWater on" when you generated your
prmtop? This is a way to make namd understand tip4p containing amber
prmtops.

For more on how to use amber ff in namd see here:
http://ambermd.org/namd/namd_amber.html

George

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Jan 10 2013 - 09:00:02 PST