[gmx-users] Long range Lennard Jones

Justin Lemkul jalemkul at vt.edu
Thu Aug 29 23:40:43 CEST 2013

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?





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


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