[gmx-users] How to resolve OXT atom issue?
palusoori at gmail.com
Sat Dec 17 07:34:26 CET 2016
I apologize you as I am wasting your valuable time.
I have peptide with 69 residues and some of the SER and THR residues
are phosphorylated and also some of the missing residues(1 to 6; 36 to 41
and 69) have been modeled by modeller . I have chosen charmm36 force
When I executed the command
pdb2gmx -f 1th1.pdb -o 1th1_processed.gro -water spce -ignh
I got following error.
Atom OXT in residues GLU 69 was not found un rtp enrty GLU with 15
atoms while sorting atoms.
Here I am sending a link which has the coordinate file.
Kindly tell me how to solve this error.
Thanks in advance
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