Hi Yun,
Mixed 1-4 scaling of AMBER and GLYCAM requires a trick originally designed
for including berger lipids and the OPLS forcefield. I think* the original
idea came from Chris Neale and I think there is a paper in detailed in there
you should cite. It was recently explained on the GMX list how
Hi Mark and Justin,
I think I should be more specific here. So i.e., I want to study the
interaction between a protein receptor and a carbohydrate ligand with MD
simulation, and I plan to use ff99sb for protein while glycam06 for
carbohydrate.
Since the two force fields are parameterized using
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