Hi all,
I try to use gromacs for my callculations of thrombin structure.I obtained
the pdb from protein databank.But the structure has some missing residues at
the end of the chain and et the beginning of the chain.I completed the residues
with sybyl 7.3.And then I started to my simulation.But in the pdb2gmx command I
got this
fatal error.:Atom LPD1 in MET11 not found in rtp entry with 9 atoms.
Then I looked at the .rtp file.I want to learn how can I add a missing thing
to the .rtp file.I search for the list that have the same titile.But one of you
please write me how can I do this.My simulation is depend on this fatal error.
Thank you very much
Özge Kül
Hacettepe University
Chemistry Department
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