[gmx-users] Error in .rtp Entery

Sanjay Singh sanjaybiochem.singh at gmail.com
Wed Jul 20 14:13:01 CEST 2016


I encountered a problem when I using pdb2gmx to convert a pdb file
into gro and top file.

The system give me a fatal error message as following:Residue 37 named
VAL of a molecule in the input file was mapped

to an entry in the topology database, but the atom CG1 used in

that entry is not found in the input file. Perhaps your atom
and/or residue naming needs to be fixed,while the position of VAL is 36
(52) in 1CF7.pdb file


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