[AMBER] tleap using GLYCAM force field

From: Shreeramesh <shreeramesh.gmail.com>
Date: Mon, 23 Jun 2014 05:00:49 -0700

Hi

I am working on the binding free energy calculation for
gammacyclodextrin-ligand complex using GLYCAM forcefield

I represented the residues of carbohydrates as 4GA in my pdb file which
comprises 8 glucose unit

While running tleap, it saves only one residues of glucose with ligand in
solvated complex. It omits the remaining seven residues

I also attached the .pdb file. Can anybody guide for getting the solvated
complex with 8 sugar unit of gammacyclodextrin-ligand in tleap using GLYCAM
force field.


Thanks
Ramesh


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Received on Mon Jun 23 2014 - 05:30:02 PDT
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