[gmx-users] Long range Lennard Jones

[Justin Lemkul]

On 8/29/13 5:33 PM, Gianluca Interlandi wrote:
> And also, gromacs does not seem to use the same switching function as CHARMM.
> Has it been tested how much this affects replication of the original CHARMM MM
> energies?
>

Yes.

dx.doi.org/10.1021/ct900549r

-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

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