Dear Amber users,
when I tried to introduce the C LJ parameter for the ions doing
add12_6_4 .Na+,Cl- watermodel SPCE (just like in the Amber reflector mail
from 4 Feb 2017), an error message appears:
> add12_6_4 .Na+,Cl- watermodel SPCE
Action add12_6_4 failed
UnhandledArgumentWarning: .Na+,Cl-
How it should be done correctly? Amber18 and AmberTools18 are in use.
Kind regards,
Nick
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Tue Oct 02 2018 - 10:30:02 PDT
