[AMBER] NonUniversalWarning: Modified off-diagonal LJ parameters detected

From: Loki <Vellryba.seznam.cz>
Date: Sat, 16 Jan 2021 12:54:54 +0100 (CET)

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.



_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jan 16 2021 - 04:00:02 PST
Custom Search