Hello Sir,
I want to run MMPBSA calculations for my protein-ligand complex. I have
extracted snapshots and when I running binding_energy.mmpbsa script as
given in the documentation page
*
http://ambermd.org/tutorials/advanced/tutorial3/section3.htm
<
http://ambermd.org/tutorials/advanced/tutorial3/section3.htm>*, it seems
run is going on but it is stuck at :
Calculating energy / entropy contributions
Calc contrib for ./snapshot_com.crd.1
Checking atom numbers
Calc MM/GB/SAS
Generate PDB
Center PDB
Minimize structure and calc entropy
I am attaching binding_energy.log herewith. Please help.
Best Regards,
*Neha*
Research Scholar,
Centre for Computational Biology and Bioinformatics,
School of Life Sciences,
Central University of Himachal Pradesh,
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Received on Fri Mar 04 2016 - 21:00:04 PST
