[gmx-users] Chromophore residue patch in gromacs

bharat gupta bharat.85.monu at gmail.com
Thu Jan 19 03:50:37 CET 2012


I have been trying to attach the chromophore of GFP in charmm ff parameter
files. The parameters have been obtained from a published article. After
making the changes as per the documentation (
, I am getting following error :-

Atom CG is used in an interaction of type atom in the topology
database, but an atom of that name was not found in residue
number 51

The chromophore residue number is 66, I don't understand why there is an
error for residue 51 . Please help me in rectifying this error ..


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