Re: [gmx-users] Atom CD in residue ILE 1 not found in rtp entry with 19 atoms

There are a few nomenclature issues with the ffcharmm files. Rename CD1 to CD and things should work fine, as far as ILE is concerned. I recalled the .tdb files needing some work as well to meet the format requirements. -Justin Volker Wirth wrote: Hello list, I tried out the Membrane Buil

[gmx-users] Atom CD in residue ILE 1 not found in rtp entry with 19 atoms

Hello list, I tried out the Membrane Builder at www.charmm-gui.org, which generates CHARMM input files for a combinded membrane-protein system and it looks quite good. The conversion CHARMM -> GROMACS is a bit tricky, I know, but I wanted to try it, though: Using the Perl script on http://www.gro