[gmx-users] pdbgmx warning long bond

maite lopez lopezmai at gmail.com
Thu Jan 25 21:57:28 CET 2007


Hi Tsjerk:

But, i think the problems is that pdb2gmx program  see the membrane
how a protein and it tries to tie the peptide with the membrane. The
topology of dppc membrane appear in the ffG53a5.rtp file of gromacs.
What can i do? Should  i create a peptide.top file and include it a
lipid.itp and dppc.itp file?
The lipid.itp file i took from Dr. Peter tieleman site is for GROMOS87
forcefield and i use GROMOS96 forcefield.

Thanks for the help,

Maite



More information about the gromacs.org_gmx-users mailing list