[gmx-users] Neutralization of the non solvated system
anurag.dobhal at nano-medicine.co.in
Thu Dec 22 14:17:33 CET 2016
*Graduate Student (Bioprocess Technology)*
*Institute of Chemical Technology, Mumbai*
On Thu, Dec 22, 2016 at 6:26 PM, Justin Lemkul <jalemkul at vt.edu> wrote:
> On 12/22/16 5:24 AM, Anurag Dobhal wrote:
>> Dear Gromacs users,
>> I am simulating a polyemer chain having positive charge. I am running the
>> simulation without any solvent, in this sitiuation how can I neutralize my
>> system ?
> You don't. There's nothing wrong with simulating a charged species in
> 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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