Hi,
I have following questions:
1. I am using MMGBSA for receptor-ligand interaction, the calculations successfully finished on my PC, but when i tried on GPU cluster, I was not able to run it, for the similar files, it shows error for complex.
2. Second problem is with mpi, i had installed on the gpu cluster following the installation guidance provided in the Amber manual, and I have not found MMPBSA.py.MPI on my bin directory.
Could anyone suggest me what could be the error
Thanks? in advance
Abhi
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Received on Wed Mar 25 2015 - 23:30:02 PDT
