>> How is it possible to solvate only the ligand in the complex using the
>> command "solvateshell"?
>I don't think it is possible to do this. It is not clear why the
solvateCap
>option doesn't meet your needs.
Thanks for the answer.
"Solvatecap" creates a reasonable sphere around a small ligand, but this is
not appropriate for elongated molecules like peptides. In this case, I think
"solvateshell" should be more suitable.
Pascal
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Received on Wed Oct 04 2006 - 06:07:15 PDT
