Hello Amber users,
When I use mmpbsa.py to calculate binding energy of a protein-protein
interaction, the result.dat file only showed the GB part but not the PB part.
The messages are listed as follows:
ptraj found! Using /opt/amber11/bin/ptraj
sander found! Using /opt/amber11/bin/sander (serial only!)
Preparing trajectories with ptraj...
50 frames were read in and processed by ptraj for use in calculation.
Starting sander calls
Starting gb calculation...
Starting pb calculation...
Error: No potential terms in sander output! Check output files.
NOTE: All files have been retained for debugging purposes. Type MMPBSA.py
--clean to erase these files.
When I caculated a protein-DNA interaction, the result showed both PB and GB,
but for this one, it only showed GB. I don't know what could possibly cause
this problem. Need your help. Thank you.
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Received on Fri May 20 2011 - 13:00:04 PDT
