[gmx-users] re:Membrane Peptide+ DPPC+ Water simulation

[John Simms]

Hi,
The reason why you are getting the atomtype LC3 error is that there is
another file on Peter Tielemans web site called lipid.itp that you need to
include into the non-bonding file which corresponds to the forcefield you
are using (ie ffG43a2xnb.itp). The dppc.itp file refers to parameters within
the lipid itself (bond length, angle, charges etc). All that you do is cut
and paste the corresponding entries from the lipid.itp file into the correct
non-bonding file. Another thing is that there is also a GROMOS9645a3 also
with improved aliphatic hydrocarbon parameters. I havent look at this yet,
but you may want to.
Cheers
John