[AMBER] regarding mm-pbsa calculation

From: neha chaudhary <nehachaudhary769.gmail.com>
Date: Sat, 5 Mar 2016 10:28:10 +0530

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
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