[gmx-users] error in pdb2gmx

Shahla Omidi a.omidi at shirazu.ac.ir
Sun Apr 17 06:18:42 CEST 2016


​hello
I want to simulate my protein with charmm36, and I used gromacs505 for this
I took this error with pdb2gmx
"Residue 1 named PRO of a molecule in the input file was mapped
to an entry in the topology database, but the atom N used in
an interaction of type improper in that entry is not found in the
input file. Perhaps your atom and/or residue naming needs to be
fixed."
residue 1 is not "proline" in my protein and I dont know what I should do to solve this problem
could you help me?



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