[gmx-users] Please help: POPC membrane simulation
Florian Haberl
Florian.Haberl at chemie.uni-erlangen.de
Mon Aug 4 11:52:58 CEST 2008
Hi,
On Monday, 4. August 2008, mahesh kulharia wrote:
> Hi
> I am Newbie her. I wanted to simulate a membrane of POPC with a GPCR in it.
> I obtained popc128.itp file, popc.pdb file but grompp_d gives me an error
> saying POP not found in residue topologu database. I would be eternally
> grateful if someone could guide me or give some hint.
a good starting point for such simulations is the wiki
http://wiki.gromacs.org/index.php/Membrane_Simulations
The error messagesays sometinhg like your .top file does not include the
correct itp files.
>
> with best regards
> newbie
greetings,
Florian
--
-------------------------------------------------------------------------------
Florian Haberl
Computer-Chemie-Centrum
Universitaet Erlangen/ Nuernberg
Naegelsbachstr 25
D-91052 Erlangen
Telephone: +49(0) − 9131 − 85 26573
Mailto: florian.haberl AT chemie.uni-erlangen.de
-------------------------------------------------------------------------------
More information about the gromacs.org_gmx-users
mailing list