[gmx-users] Regarding change in residue name during conversion from pdb 2 gro file

Dilip H N cy16f01.dilip at nitk.edu.in
Mon Jun 26 18:01:41 CEST 2017


Hello all,
I have a .pdb file with residue name as DMAM , so while i try to convert
the .pdb file into .gro file by the command :-
gmx editconf -f abc.pdb -o abc.gro
the .gro file is generated but the residue name is being changed to
DMA...which during the simulation mixture setup gives errors as residue not
found it residue topology...
So how do i avoid this residue name getting changed during the conversion
from .pdb file to .gro file...??

Thank you

-- 
With Best Regards,

DILIP.H.N
Ph.D Student



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