[gmx-users] gromacs.org_gmx-users Digest, Vol 146, Issue 57

[Mark Abraham]

Hi,

You cannot in general mix force fields.

Mark

On Mon, 13 Jun 2016 09:18 <amitbehra at chemeng.iisc.ernet.in> wrote:

> Hello,
> Thanks Tsjerk for the reply.So the equilibration needs to be run for some
> more time.
> Can I incorporate other force field in the membrane built from Charmm-GUI
> if the atom names are same in the forcefield as used by Charmm-GUI ?
>
> Regards,
> Amit Behera
> Dept. of Chemical Engg.,
> IISc.
>
> > Date: Mon, 13 Jun 2016 06:44:03 +0200
> > From: Tsjerk Wassenaar <tsjerkw at gmail.com>
> > To: Discussion list for GROMACS users <gmx-users at gromacs.org>
> > Subject: Re: [gmx-users] Is charmm GUI ideal for membrane building
> > Message-ID:
> >       <
> CABzE1SjmX9iHQ8gJXn6uoNus1qmFdQwJ93rToaG3rR97fEVm7w at mail.gmail.com>
> > Content-Type: text/plain; charset=UTF-8
> >
> > Hi Amit,
> >
> > What membrane and what time scale are you talking about? Complex
> membranes
> > may take microseconds to equilibrate.
> >
> > Cheers,
> >
> > Tsjerk
> > On Jun 13, 2016 06:13, <amitbehra at chemeng.iisc.ernet.in> wrote:
> >
> >> Hello everyone,
> >> I built a lipid membrane in Charmm-GUI and tried to equilibrate it in
> >> GROMACS 5.1.2. But the total energy goes on decreasing. Is it normal or
> >> should I try building the membrane by other methods.
> >>
> >> Thanks in advance,
> >>
> >> Amit Behera
> >>
>
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