[gmx-users] Re: Charmm 36 forcefield with verlet cut-off scheme

[Justin Lemkul]

On 9/20/13 7:59 AM, Mark Abraham wrote:
> Note that the group scheme does not reproduce the (AFAIK unpublished)
> CHARMM switching scheme, either.
>

In case anyone is interested, the reference cited in the CHARMM papers for the 
switching and shifting functions is dx.doi.org/10.1002/jcc.540150702.

-Justin

-- 
==================================================

Justin A. Lemkul, Ph.D.
Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441

==================================================