[gmx-users] DT Fatal Error still remaining

Sanjay Singh sanjaybiochem.singh at gmail.com
Fri Jul 22 13:49:57 CEST 2016


I encountered a problem when I using pdb2gmx to convert a pdb file
into gro and top file.by using  6: AMBER99SB-ILDN protein, nucleic
AMBER94 Force field

The system give me a fatal error message as following:Atom P in
residue DT 501 was not found in rtp entry DT5 with 30 atoms while
sorting atoms.

Before above mention fatal error system give fatal error 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 valine naming is same in .rtp entry and pdb file
this error is remove but DT 501 fatal error still remaining


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