[gmx-users] Neutralization of the non solvated system

[Anurag Dobhal]

Thank you




*Anurag Dobhal*
*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
> vacuo.
>
> -Justin
>
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> Justin A. Lemkul, Ph.D.
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