[gmx-users] where can I download POPC membrane file?
Rausch, Felix
frausch at ipb-halle.de
Mon May 30 09:53:49 CEST 2011
Ah okay. Sorry then.
But if its only the atom names that dont match, isn't it worth a try to either name them correctly in the pdb file(maybe via a little script) or to adjust the names in the topology file so they match the pdb? (I know, very simple-hearted question.)
________________________________
Von: gmx-users-bounces at gromacs.org im Auftrag von albert
Gesendet: Mo 30.05.2011 09:37
An: Discussion list for GROMACS users
Betreff: Re:AW: Re: [gmx-users] where can I download POPC membrane file?
I know this, but this file cannot be used because the atom name is quite different from gromacs CHARMM36 topol library.
At 2011-05-30,"Rausch, Felix" <frausch at ipb-halle.de> wrote:
Check this link given by another (unknown) mailing list user yesterday (Topic name: about POPC in Gromacs )!
http://terpconnect.umd.edu/~jbklauda/research/download.html <http://terpconnect.umd.edu/%7Ejbklauda/research/download.html>
________________________________
Von: gmx-users-bounces at gromacs.org im Auftrag von albert
Gesendet: So 29.05.2011 21:23
An: Discussion list for GROMACS users
Betreff: Re:Re: [gmx-users] where can I download POPC membrane file?
But I don't think it is pre-equilibrium POPC membrane...... and more over, the position from VMD is not pre-aligned with OPM database. It would be a great problem for putting our protein in the membrane......
At 2011-05-30,"Sergio Manzetti" <sergio.manzetti at vestforsk.no> wrote:
You can build it using VMD (VIsual Molecular Dynamics)
2011/5/30 albert <leuven at yeah.net>
Dear all:
I would like to use charmm36 and POPC for membrane protein simulation. and I am wondering where can I download charmm36 pre-pribriumed POPC PDB and topol file for gromacs?
Thank you very much
Best
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