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

From: Daniel Roe <>
Date: Wed, 23 Jul 2014 08:02:03 -0600

On Wed, Jul 23, 2014 at 3:08 AM, James Starlight <>

> 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.


Daniel R. Roe, PhD
Department of Medicinal Chemistry
University of Utah
30 South 2000 East, Room 201
Salt Lake City, UT 84112-5820
(801) 587-9652
(801) 585-6208 (Fax)
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Received on Wed Jul 23 2014 - 07:30:03 PDT
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