[gmx-users] Constant pH replica exchange MD in Gromacs (Muneeswaran S)

Muneeswaran S wmunees47 at gmail.com
Wed Dec 18 08:38:33 CET 2019


Thanks for your information.

On Wed, 18 Dec 2019 at 12:30, Groenhof, Gerrit <ggroenh at gwdg.de> wrote:

> No, but this is possible in Charmm and in Amber.
> Best,
> Gerrit
>
>
>
> > Date: Wed, 18 Dec 2019 11:52:15 +0530
> > From: Muneeswaran S <wmunees47 at gmail.com>
> > To: gmx-users at gromacs.org
> > Subject: [gmx-users] Constant pH replica exchange MD in Gromacs
> > Message-ID:
> >       <CAN=_HbeyT3iepj0N6v-mn89Nng6=
> aPdmP_+BAopLz5Rc3G894g at mail.gmail.com>
> > Content-Type: text/plain; charset="UTF-8"
> >
> > Good Morning Friends,
> >
> >                           I want to run Constant pH replica exchange MD
> > for my peptides. Is that possible with GROMACS?
> >
> > please let me know. Its urgent.
> >
> >
>
>
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