Dear Amber Users !
I am working on the protein-ligand system according to amber tutorial. I
was able to prepare the model using parametrization of ante-chamber and
then parametrized the whole complex using tleap. Now I would like to extend
my system, inserting several replicas of the same ligand (present in the
binding pocket, that I parametrized via antechamber) into the solvent to
study it's binding with the protein. How this could be done (replicate
ligand and put it into water of the prepared system or alternatively I need
to prepare it de novo ?) assuming that I have all parameters for this
system ?
Many thanks in advance
Enrico
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Received on Fri Oct 25 2024 - 02:00:01 PDT
