Re: [AMBER] optimization of the ligand

From: Mary Varughese <maryvj1985.gmail.com>
Date: Thu, 6 Feb 2014 20:38:34 +0530

Its non-covalent binding. I hope i dont have to parametrize the ligand for
each binding mode. I am proceeding the same way. I want to make it sure,
its reasonable.

Thank you sir


On Thu, Feb 6, 2014 at 6:37 PM, David A Case <case.biomaps.rutgers.edu>wrote:

> On Thu, Feb 06, 2014, Mary Varughese wrote:
> >
> > I am trying the binding of a ligand on different nucleic sequences. Is
> > it reasonable to use the same ligand library files for the different
> > binding modes.
>
> Only you really can figure out the answer. If the binding is non-covalent,
> then, yes: it is standard practice to use the same ligand library file for
> different binding modes.
>
> ...dac
>
>
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Received on Thu Feb 06 2014 - 07:30:03 PST
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