[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