Dear all,
I am studing a big molecule, about 8000 atoms: I created the .mol2 file
and now I am running parmchk in order to get the missing parameters.
I read in a old post that this operation is exponential in the number of
atoms, so I'd like to know: how long it may take for my molecule (~8000
atoms)?
In case it is unfeasible to wait so long, I guess that a good solution
should be to split the molecule in pieces and work with them.
Thank you,
Stefano
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Received on Fri Feb 26 2016 - 05:00:03 PST
