I strongly suggest you try the latest AmberTools release for your project
... It's free.
Ray
On Sat, Jun 30, 2012 at 3:36 AM, <rajeevy.iitk.ac.in> wrote:
> 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 - 07:30:02 PDT
