Hello,
I am using the attached script to prepare all the topology files to run
MMGBSA. Is this script correct? After I generate the complex topology file,
the receptor topology file, I used VMD to check. I realized both of the
complex and receptor topology files have one more atom than the original
PDB files. I could figure it out why it happens. I also attach the
complex.pdb, receptor.pdb here.
Looking forward to hearing from you. Thank you.
Best regards,
Rui
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Received on Mon Dec 16 2019 - 10:30:01 PST
