Re: [AMBER] Problems with amber topology in NAMD

From: George M Giambasu <giambasu.gmail.com>
Date: Mon, 9 Jan 2012 13:26:26 -0500

A good guide on how use amber file formats in NAMD can be found at the
links bellow. Apart from setting scaled1-4 to 0.83 you should set
"switching off" as well as change the COULOMB conversion factor and
recompile.

http://ambermd.org/namd/namd_amber.html
http://www.ks.uiuc.edu/Research/namd/current/ug/node14.html

George

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Jan 09 2012 - 10:30:05 PST
Custom Search