Dear Amber community,
I am simulating protein in a lipid membrane. I prepared the files using
CHARMM and using the CHARMM36ff but running the simulations using the Amber
engine pmemd (cuda after minimizing).
When using ParmED, to check the .parm7 file I get this warning:
NonUniversalWarning: Modified off-diagonal LJ parameters detected
I assume this is something to do with the CHARMM compatibility? Is that
correct? Can I ignore this warning?
Thank you,
L.
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Received on Sat Jan 16 2021 - 04:00:02 PST
