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

[Sotirios Dionysios I. Papadatos]

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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