[gmx-users] Forcefield for Lipids

Saumya samvygupta at gmail.com
Thu Oct 6 13:43:11 CEST 2011

Hello all,

I am trying to simulate the DMPC Lipid Bilayer with water molecules. I am
using Charmm27 forcefield for that. I obtain the starting structure from
Charmm-GUI. The pdb file that I obtain has "DMPC" as the residue name for
the lipid molecules. I checked the "lipid.rtp" file in Charmm27 and it has
DMPC in the list of lipids. But, when I generate the topology using pdb2gmx,
it says that it does not recognize the the DMPC residue. Therefore, the
resulting topology file does not include any information about the lipids
and only states the solvent information.
How can I generate a topology that will include the DMPC lipids too and what
residues name is recognized by Gromacs for the DMPC lipid?
Kindly guide.

-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20111006/bc280f3e/attachment.html>

More information about the gromacs.org_gmx-users mailing list