[gmx-users] PG/PE 3:1 lipid bilayer

[Piggot T.]

Hi,

The membrane you downloaded is for use with Berger based united-atom PE/PG lipid parameters. If you wish to make a CHARMM36 compatible mixed lipid membrane, the easiest method is probably by using the CHARMM-GUI. If you do want to use the membrane you downloaded (which I would strongly advise against), you need to also obtain the force field files and lipid topologies for use with these united-atom PE/PG lipids.

Cheers

Tom

________________________________________
From: gromacs.org_gmx-users-bounces at maillist.sys.kth.se [gromacs.org_gmx-users-bounces at maillist.sys.kth.se] on behalf of Justin Lemkul [jalemkul at vt.edu]
Sent: 10 April 2014 11:20
To: gmx-users at gromacs.org
Subject: Re: [gmx-users] PG/PE 3:1 lipid bilayer

On 4/10/14, 2:23 AM, madhura khare wrote:
> Hello all,
>
> I got the pre equilibrated POPE/POPG 3:1 bilayer from
> http://www.softsimu.net/downloads.shtml
>
> While introducing the peptide to it found error with AtomTypes. I am using
> charmm36-mar2014.ff.
>
> How to solve this?
>

You need to provide actual diagnostic information - exact commands used, the
exact error message (everything copied and pasted from the terminal), otherwise
the only response to "there was an error" is "you made a mistake."  To get
something more useful, and efficiently, be precise in what's going on.

-Justin

--
==================================================

Justin A. Lemkul, Ph.D.
Ruth L. Kirschstein NRSA Postdoctoral Fellow

Department of Pharmaceutical Sciences
School of Pharmacy
Health Sciences Facility II, Room 601
University of Maryland, Baltimore
20 Penn St.
Baltimore, MD 21201

jalemkul at outerbanks.umaryland.edu | (410) 706-7441
http://mackerell.umaryland.edu/~jalemkul

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