Dear Amber DevelopersI am trying to run MM-GBSA method and the MM-PBSA method for comparison for protein and ATP system, but the final output file isn't built. I also use antechamber to get the correct parameters for ATP and the protein-ATP system was constructed in a similar manner to Amber advanced tutorials 3, section 1. Please help us to solve this mistake and suggest us how to proceed this. I have searched through the Amber archives and reference manual, and I cannot figure out what is incorrect.
Thanks in advance for any suggestions
Regards
Fatemeh
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Received on Sat May 07 2016 - 06:00:04 PDT
