[gmx-users] Is charmm GUI ideal for membrane building

[Tsjerk Wassenaar]

Hi Sotirios,

What membrane and what time scale are you talking about? Complex membranes
may take microseconds to equilibrate.

Cheers,

Tsjerk
On Jun 13, 2016 09:30, "Sotirios Dionysios I. Papadatos" <
si.papadatos at edu.cut.ac.cy> wrote:

> I might be wrong here, but energy is supposed to converge. Maybe you want
> to verify something else?
>
> ________________________________________
> From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se <
> gromacs.org_gmx-users-bounces at maillist.sys.kth.se> on behalf of Tsjerk
> Wassenaar <tsjerkw at gmail.com>
> Sent: Monday, June 13, 2016 7:44:03 AM
> To: Discussion list for GROMACS users
> Subject: Re: [gmx-users] Is charmm GUI ideal for membrane building
>
> 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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