On Tue, Nov 22, 2011, Soma Ghosh wrote:
>
> Will parmchk work on a system as huge as 230 aa.
No. parmchk is designed to be used in combination with antechamber, on small
molecule (residue)-sized fragments. Furthermore, parmchk is designed for use
with the GAFF force field, not with the Amber force fields.
> Will the presence of metal effect its performance, like antechamber
> (antechamber does not work with metals)
Like antechamber, parmchk cannot be used for metal-based systems.
(We need to update the manual to make the connection between parmchk and
antechamber clearer).
....dac
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Received on Tue Nov 22 2011 - 05:30:05 PST
