I'm running a MMPBSA calculation but when I convert the .dcd files to .mdcrd with cpptraj and the ejecute the MMPBSA.py module, In the final results I get the following error:
WARNING: INCONSISTENCIES EXIST WITHIN INTERNAL POTENTIAL
TERMS. THE VALIDITY OF THESE RESULTS ARE HIGHLY QUESTIONABLE
How can I solve thsi problem without runnig the simulation again?
Thanks in advance
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Received on Wed Sep 06 2023 - 02:00:02 PDT
