Re: [AMBER] RESP charge derivation

From: shomesankar bhunia <rightclickatrighttime.gmail.com>
Date: Fri, 31 Aug 2012 09:32:45 +0530

Hii,
Thanks again, but i am not getting anything when i type "which resp". Can
you please hint me what necessary things i have to do so that i can
interface GAMESS and RESP with REDIII.5, that will be very helpful.

On Fri, Aug 31, 2012 at 12:51 AM, Jason Swails <jason.swails.gmail.com>wrote:

> Because AMBERHOME/bin may not be in your PATH. Do you find the command
> when you type "which resp"?
>
>
> On Thu, Aug 30, 2012 at 3:04 PM, shomesankar bhunia <
> rightclickatrighttime.gmail.com> wrote:
>
> > Thanks jason for your help.As gaussian is not free, i will try
> GAMESS,but i
> > have already installed amber tools in my system than why it is displaying
> > RESP not found? Thanks in advance.
> >
> > On Thu, Aug 30, 2012 at 2:55 PM, Jason Swails <jason.swails.gmail.com
> > >wrote:
> >
> > > On Thu, Aug 30, 2012 at 2:49 PM, shomesankar bhunia <
> > > rightclickatrighttime.gmail.com> wrote:
> > > >
> > > > * Software checking *
> > > > Gaussian [ NOT FOUND ]
> > > >
> > >
> > > You need to install Gaussian, or use one of the alternative programs.
> > >
> > >
> > > > resp [ NOT FOUND ]
> > > >
> > >
> > > You also need to install resp (which you can do by installing
> > AmberTools).
> > >
> > > The error messages in this case point out what the problem is, so don't
> > be
> > > afraid to try stuff out.
> > >
> > > HTH,
> > > Jason
> > >
> > > --
> > > Jason M. Swails
> > > Quantum Theory Project,
> > > University of Florida
> > > Ph.D. Candidate
> > > 352-392-4032
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> > > AMBER mailing list
> > > AMBER.ambermd.org
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> > >
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> > AMBER.ambermd.org
> > http://lists.ambermd.org/mailman/listinfo/amber
> >
>
>
>
> --
> Jason M. Swails
> Quantum Theory Project,
> University of Florida
> Ph.D. Candidate
> 352-392-4032
> _______________________________________________
> AMBER mailing list
> AMBER.ambermd.org
> http://lists.ambermd.org/mailman/listinfo/amber
>
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Received on Thu Aug 30 2012 - 21:30:03 PDT
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