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
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Received on Wed Oct 28 2015 - 08:30:04 PDT
