[gmx-users] About the GROMOS96 parameters files

intra\sa175950 stephane.abel at cea.fr
Mon Oct 3 10:34:05 CEST 2011


Dear GMXusers, 
 
I would like to reproduce the results obtained in the paper of Marrink et al
"Molecular dynamics simulations of the kinetics of spontaneous micelle
formation". J. Phys. Chem. B, 104:12165-12173, 2000". In this (old but
interesting) work, the authors used the GROMOS96 force field to model the
DPC lipid. I have found the topology file for the lipid in the P. Tieleman's
website but not the GROMOS96 lipid parameters. I have contacted one of the
authors (SJ Marrink), but unfortunately, he has not kept the files.  

Does anyone know where I can find this file in the GROMACS format?

I have also found a "ffgmx_lipids.tar.gz" file in the "user contribution"
section of the GROMACS's website. Is this file is the GROMOS96 parameter for
lipids used in this paper above? 

Thanks in advance for your response.

Stéphane 





More information about the gromacs.org_gmx-users mailing list