Hi dear Li,
as David said, would better you run "resp" program and not antechamber,
directly.
Luciano T. Costa
On Thu, Oct 15, 2015 at 10:46 PM, li he <parachuternewyork.gmail.com> wrote:
> unfortunately, R.E.D server (
> http://q4md-forcefieldtools.org/REDServer-Development/) has been down for
> 3
> weeks.
> I write an email to contact.q4md-forcefieldtools.org, asking when will it
> be back, but no response.
> Thanks a lot for your kind help.
> yours
> Bob
>
> 2015-10-16 4:10 GMT+08:00 David A Case <dacase.scarletmail.rutgers.edu>:
>
> > On Fri, Oct 16, 2015, li he wrote:
> >
> > > ~/software/amber12/AmberTools/bin/antechamber -i ../CEP-121G-P.log
> -fi
> > > gout -o KEG.mol2 -fo mol2 -c esp -nc -3 -s 0
> >
> > > I try these ways, and antechamber crash. Am I doing anything wrong?
> >
> > I suspect that antechamber is so attuned to organic complexes that you
> > should not expect it to work with lots of W atoms, and that you need to
> run
> > resp calculations "by hand" (using either the R.E.D. server or the Amber
> > "resp" program), and not rely on antechamber.
> >
> > ....dac
> >
> >
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Luciano Tavares da Costa
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Received on Fri Oct 16 2015 - 20:00:03 PDT
