Hi,
I have tried MD of homology modelled protein by Gromos43a1 force field.
After selecting the force field i got the error:-
Atom HD1 in residue HIS 163 was not found in rtp entry HSE with 17 atoms
while sorting atoms.
Then i tried to igonre the hydrogens by -ignh command.
Further i got this error:-
Atom OXT in residue SER 233 was not found in rtp entry SER with 11 atoms
while sorting atoms.
This is my SER233 entry in my model:-
ATOM 1131 N SER 233 30.369 -68.933 12.323 1.00 36.22 N
ATOM 1132 CA SER 233 31.614 -68.192 12.533 1.00 35.60 C
ATOM 1133 C SER 233 32.001 -68.099 14.016 1.00 35.61 C
ATOM 1134 O SER 233 31.231 -68.478 14.919 1.00 35.04 O
ATOM 1135 CB SER 233 31.532 -66.798 11.929 1.00 36.14 C
ATOM 1136 OG SER 233 31.371 -66.891 10.516 1.00 0.00 O
ATOM 1137 OXT SER 233 33.104 -67.625 14.279 1.00 99.99 O1-
ATOM 1138 H SER 233 29.530 -68.389 12.380 1.00 99.99 H
ATOM 1139 HG SER 233 31.326 -65.971 10.130 1.00 99.99 H
I have 9 atoms in SER and one more thing is O1-
What i should in this condition??
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