hello,when I use MMGBSA to calculate protein-protein binding energy,the results are so different every time.I am so confused. There is a warning in the output file:INCONSISTENCIES EXIST WITHIN INTERNAL POTENTIAL
TERMS. THE VALIDITY OF THESE RESULTS ARE HIGHLY QUESTIONABLE. The attachment is my output file.Can I ignore this warning?
The parameters of input file are as follows:
Input file for running PB and GB
&general
startframe=100, endframe=500, interval=4, keep_files=0,
/
&gb
igb=5, saltcon=0.150
/
&decomp
idecomp=1, print_res='1-585', csv_format=0,
My system is a glycoprotein.Do you think what's the reason of instability?
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Received on Fri Apr 23 2021 - 21:00:02 PDT
