[gmx-users] POPC membrane simulations
Chris Neale
chris.neale at utoronto.ca
Fri Mar 23 00:27:31 CET 2007
If I understand correctly you want to construct popc.itp from the
dppc.itp that is available on Tieleman's site? And you have used PRODRG
to do this? That sounds like a lot of extra work when popc.itp is
directly available from Tieleman's site...
http://moose.bio.ucalgary.ca/index.php?page=Structures_and_Topologies
The fact that you want to use ffG53a5 and not ffgmx is more of an issue.
To do that you need to avoid lipid.itp and do something like this:
http://www.gromacs.org/pipermail/gmx-users/2006-September/023639.html
However, you will want to heed this warning (or at least understand it):
http://www.gromacs.org/pipermail/gmx-users/2006-September/023640.html
Chris.
More information about the gromacs.org_gmx-users
mailing list