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

Groenhof, Gerrit ggroenh at gwdg.de
Wed Dec 18 07:58:21 CET 2019


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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