[gmx-users] Fwd: Simulation

Justin Lemkul jalemkul at vt.edu
Wed May 10 19:47:16 CEST 2017

On 5/10/17 1:43 PM, RAHUL SURESH wrote:
> ---------- Forwarded message ---------
> From: RAHUL SURESH <drrahulsuresh at gmail.com>
> Date: Tue, 9 May 2017 at 12:32 PM
> Subject: Simulation
> To: <gmx-users at gromacs.org>
> Dear Gromacs Users
> Is  it possible to do dynamic study of radioactive materials in Gromacs? If
> so is there any article for reference? What are all the conditions to be
> examined and taken care of while simulating a radioactive material.?

What is the purpose of such a simulation?  There's no way to simulate 
radioactive decay and no way to simulate radiation effects on other atoms (mdrun 
claims an X-ray bombardment capability but I have never heard of anyone using it 
aside from its first published use).



Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 629
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

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


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