Hi,
I am trying to calculate free energy of a complex by using mm_pbsa.pl.
It has generated all the three out files- snapshot_com.all.out,
snapshot_lig.all.out and snapshot_res.all.out. However, the
snapshot_statistics.out is missing.
So I tried to do it manually :
#mm_pbsa_statistics.pl 1 0 snapshot_statistics.in snapshot_statistics.out
But this shows :
Calc delta from raw data
No data for 0+0 MM BOND 0
I checked with the ambermailing list but couldn't find a suitable ans
to solve my problem. Kindly help
--
Asfa Ali
Prof. S. Bhattacharya's group,
Dept. of Organic Chemistry,
Indian Institute of Science,
Bangalore-12
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Received on Wed Dec 25 2013 - 04:30:03 PST
