[gmx-users] pdb2gro

Milan Melichercik melicher at cray.dbp.fmph.uniba.sk
Tue Jul 22 21:29:01 CEST 2003

Hi all,

I've downloaded a DMPC membrane from Dr. Peter Tieleman's site
(http://moose.bio.ucalgary.ca/Downloads), but when I've tried to convert it
into .gro and .top by using pdb2gmx, I've got this message:

Fatal error: Atom CA in residue DMSO 1 not found in rtp database
             while sorting atoms

but I didn't work anything with DMSO, so what it is doing there?
BTW: I have installed lipid parameter extension for ffgmx (from gromacs

So what I'm doing wrong?

Thanks a lot.


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