Hi,
There are three F atoms in my ligand and using mm_pbsa.pl for calculation
in AMBER9. Can some one tell me how an where to set radius of F in MMPBSA
calculation.
It shows the error in the terminal window like this
Died at /home/psen/AMBER9/amber9/src/mm_pbsa/mm_pbsa_calceneent.pm line
498, <PDB> line 9267.
And in log file I got the following information:
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 F2 9265 in residue COU 584
Thanking You
with regards
Rajeev Yadav
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Received on Sat Jun 30 2012 - 04:00:02 PDT
