Re: [AMBER] On the values of boost potential for aMD based on amd.log

From: Daniel Roe <daniel.r.roe.gmail.com>
Date: Wed, 23 Jul 2014 08:02:03 -0600

On Wed, Jul 23, 2014 at 3:08 AM, James Starlight <jmsstarlight.gmail.com>
wrote:

> I wounder if the dihe boost of this value
> have been applied to the whole protein (including its restrained parts) or
> only to its unrestrained (in my case loops) parts?


Currently the dihedral boost is always applied to all dihedrals. There is
no way yet to apply aMD boost to only a subset of dihedrals.

-Dan

-- 
-------------------------
Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
http://home.chpc.utah.edu/~cheatham/
(801) 587-9652
(801) 585-6208 (Fax)
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber

Received on Wed Jul 23 2014 - 07:30:03 PDT