Thank you very much!
Could I please ask why?
Thanks,
L.
---------- Původní e-mail ----------
Od: David A Case <david.case.rutgers.edu>
Komu: AMBER Mailing List <amber.ambermd.org>
Datum: 16. 1. 2021 14:47:08
Předmět: Re: [AMBER] NonUniversalWarning: Modified off-diagonal LJ
parameters detected
"On Sat, Jan 16, 2021, Loki wrote:
>
>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
You may ignore this message: it's expected with CHARMM force fields.
....dac
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
"
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Sat Jan 16 2021 - 10:00:03 PST
