Hello everybody,
I am trying to use mm_pbsa_statistics.pl to obtain the binding energy of my
protein-DNA system. However, I didn't get results and the terminal showed
warnings like
"Missing EPB for PB in 65 -> Taken from 64"
"No values for MM_ELE existing -> Skipping"
"No values for GB_GBSOL existing -> Skipping"
"No values for MM_GAS existing -> Skipping"
"=>> Calc delta from raw data
No data for 0+0 PB ELRAELE 0"
The input file I used is the snapshot_statistics.in generated by
extract_coords.mmpbsa. The command I used is:
mm_pbsa_statistics.pl 1 1 snapshot_statistics.in snapshot_statistics.out
Could anybody tell me how to use the mm_pbsa_statistics.pl? What input file
should I use? Thank you very much.
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Received on Fri Sep 17 2010 - 16:00:04 PDT
