[AMBER] pmemd trajectory for mm_pbsa/gbsa analysis on sander

From: Sangeetha B <sangeetha.bicpu.edu.in>
Date: Thu, 14 Jul 2011 20:08:40 +0530

Hi,

I want to run mm-pbsa/gbsa analysis for protein-ligand complexes.
Since pmemd is faster than sander, I use pmemd (installed on a
NVIDIA-gpu) for obtaining the MD trajectories and sander for running
mmpbsa. I want to know whether combining pmemd and sander would affect
my results...it would be helpful for my work if my query is
answered...

Thank you...

Sangeetha
PhD Research scholar
Pondicherry University
India

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Received on Thu Jul 14 2011 - 08:00:03 PDT
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