[gmx-users] error

az kalsom azkalsom at gmail.com
Tue Jan 29 17:01:47 CET 2013


i am using the following

 pdb2gmx -ff amber99sb -f proteinamber.pdb -o  protei2.pdb -p protein.top
-water spce -ignh

and gets the error

Fatal error:
Residue 2 named GLU of a molecule in the input file was mapped
to an entry in the topology database, but the atom CG used in
that entry is not found in the input file. Perhaps your atom
and/or residue naming needs to be fixed.

how to rename it ?


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