On Mon, Dec 17, 2012, deathsnake1991 wrote:
>
> Also I had try to make the ??-cyclodextrin from the ANTECHAMBER. It
> asked me to adjust atom valance penalty parameters in APS.DAT and
> increase PSCUTOFF in define and recompile bond type. I am curious
> of whether the parameter of cyclodextrin can be constructed with
> ANTECHAMBER or not.
Antechamber is designed to work on single residues; did you by chance feed
it an entire molecule? Or a pdb file without all the hydrogens? There are
many ways that antechamber can fail with bad input (plus, of course, failures
with good inputs....). Without having any details of exactly what you asked
it to do, we can't be of much help.
...dac
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Received on Mon Dec 17 2012 - 05:30:05 PST
