Hello GROMACS users,
I have phosphorylated Serine residue in my
protein (140 residues) of interest, now when I run pdb2gmx I get this
following error
Atom OXT in residue ALA 140 was not found in rtp entry ALA with 6 atoms
while sorting atoms.
I checked aminoacid.rtp, there is no separate entry for OXT there.When I
did the simulation for the same protein prior phosphorylation I did not get
this error. What is the reason for this and how should I rectify this error?
Please help me with this regard....
Regards,
Hasthi
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