[AMBER] Different Parameters for Nonbonded Interactions

From: Batuhan Kav <bkav13.ku.edu.tr>
Date: Wed, 28 Oct 2015 16:02:08 +0100

Dear All,

I have a question about using different parameter files for nonbonded
interactions. My simulation consists of two identical sugar molecules in
explicit water solvent. I parametrize them with Glycam06 force field and
I use TIP3P for the water model. I am experimenting on Glycam force
field, especially on sugar-sugar nonbonded interactions.

I want to define nonbonded interactions between sugar molecules with the
modified field, but I want to keep sugar-water interaction as they are
in Glycam. I wanted to know if there is a way to do this in Leap
directly, or should I consult to ParmEd for modifying the topology file?

All the best,
Batuhan

_______________________________________________
AMBER mailing list
AMBER.ambermd.org
http://lists.ambermd.org/mailman/listinfo/amber
Received on Wed Oct 28 2015 - 08:30:04 PDT
Custom Search