Beginning GB calculations with /apps_shared/amber/amber14/bin/sander
calculating complex contribution...
bad atom type: i
File "/apps_shared/amber/amber18/bin/MMPBSA.py", line 100, in <module>
app.run_mmpbsa()
I was just checking that this was due to iodine being in my ligand or if
anyone was aware of a work around?
I am running MMGBSA analysis of a drug and protein molecule
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Received on Tue Feb 19 2019 - 02:30:01 PST
