[gmx-developers] gromacs can't recognize residue name with four letters in some cases
dong at pampas.chem.purdue.edu
Sat Aug 5 06:24:31 CEST 2006
Dear GMX developers,
In my pdb file, some residues' names have four letters. When I use
pdb2gmx, it works fine. The output gro file shows those residues (with
four letters). When I use editconf -f *gro -o *pdb, gromacs can't
recognize those residues with four letters. All residues' names in the
output pdb file have only three letters. For those residues whose name
have four letters, the last letter has been truncated. Please check it.
If it is possible, could you please solve it?
All the best!
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