Hello everyone,
I need a deprotonated TYR in my molecular dynamics simulation. I used
parmed > changeProtState as suggested in many posts. It worked well for the
MM part, but in the QM/MM section the software still "sees" the proton of
TYR (I think it became a dummy atom during the MM simulations). Is there a
way to keep it as a dummy atom?
Thanks
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Thu Feb 06 2020 - 15:00:02 PST
