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[Maryam Sadeghi]

 Hi All,

I have created a crystal structure of 2 polymer chains (PEG) and I need to
calculate the cohesive energy for my system using CHARMM36 FF. In this case
my fix_mol2 file includes 2 ligands, to convert to str file I get the
following error:

readmol2 warning: non-unique atoms were renamed. Now processing molecule
LIG ... attype warning: carbon radical, carbocation or carbanion not
supported; skipped molecule.

How can I fix this problem? Changing the ligand IDs and names does not
help. I even tried to make 2 separate mol2 files for each chain in the
crystal structure, but still get the same error while converting to str
file...


-- 

Maryam S. Sadeghi
P *Please think before printing*