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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Received on Thu Oct 15 2015 - 19:00:03 PDT
