Hi,
I am doing MM-PBSA in AMBER10.
I add one calcium inside the protein. The force field has
been modified by add atom name "KA" relagted to atom type
"C0". There is no warning or error on MD steps.
However, when I do mm-pbsa. The error appears in
binding_energy.log. It is the following,
=>> Calculating energy / entropy contributions
Calc contrib for ./snapshot_com.crd.1
Calc MM/GB/SAS
Generate PDB
Center PDB
Calc PBSA
Generate PQR
No radius found for KA 6010 in residue CAL 390
Thanks,
Lidong
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Received on Thu Sep 09 2010 - 10:00:05 PDT
