[gmx-users] pH Replica Exchange

[Reza Esmaeeli]

As I guessed. Thanks.

On Monday, November 26, 2018, Justin Lemkul <jalemkul at vt.edu> wrote:

>
>
> On 11/26/18 4:50 AM, Reza Esmaeeli wrote:
>
>> I’m considering Replica Exchange MD for different pH values with GROMACS.
>> Any ideas where to start?
>>
>> (In the literature, this is usually done using Amber or CHARMM packages)
>>
>
> Start by using AMBER or CHARMM :)
>
> AFAIK, there is no support for anything like this in GROMACS.
>
> -Justin
>
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