Dear All,
In my system, I’m trying to change the LJ parameters of certain atom types using Parmed’s addLJType command. However, while doing this I need to keep the 1-4 interactions unchanged. I’ve realized that, when I change the LJ radius/epsilon using the addLJType command, the 1-4 vdW energy (as the minimization output suggests) also changes and the radius_14 option in Parmed is only for the chamber-related topologies.
Is there any way to accomplish this?
thank you alll,
Batuhan
_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Mon Oct 19 2020 - 08:30:02 PDT
