Hi,
I was doing Entropy calculation in nabmode. I used parallel version of the
python script to do so using 4CPU. Unfortunately my calculation got killed
due to lime limit and now it copied only -
_MMPBSA_complex_nm.out.[0-3]
_MMPBSA_receptor_nm.out.[0-3]
_MMPBSA_ligand_nm.out.[0-3]
If I look in the progress.log then i can see that calculation were killed
during last thread so I think It will have the data up to second last
thread. Is it possible by someway to generate the final results from this
data stored in these 12 files ?
Sincerely
..mish
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Received on Mon Feb 21 2011 - 08:00:02 PST
