Thank you very much for the support. Now i have to do my job.have a nice
time.
On Fri, Aug 31, 2012 at 2:06 AM, FyD <fyd.q4md-forcefieldtools.org> wrote:
> Dear Shomesankar Bhunia,
>
> See http://q4md-forcefieldtools.org/RED/documentation.php
> Manuals available for R.E.D. III.x:
> - Using the R.E.D.-III.3 tools
> - Using the R.E.D.-III.4 tools
> - Using the R.E.D.-III.5 tools & history file
> - Using R.E.D.-III.x on Mac OS
> - Using R.E.D.-III.x on Windows OS
>
> Below are examples of .cshrc file for csh/tcsh.
> to be updated using: cd && source .cshrc
>
> RESP, Gaussian, GAMESS and Firefly programs are installed in /usr/local
>
> -------- resp + gaussian 09 ----------
> # QM scratch
> setenv GAUSS_SCRDIR /tmp
> setenv g09root /usr/local
> source $g09root/g09/bsd/g09.login
> # using the standalone RESP version at
> http://q4md-forcefieldtools.org/RED/resp/
> set path = ($path /usr/local/resp-2.2)
> # using the RESP version from AmberTools
> # set path = ($path $AMBERHOME/bin)
> --------------------------------------
>
> -------- resp + gamess --------------
> # you might update LD_LIBRARY_PATH to find required libraries
> # GAMESS_SCRDIR is defined in the /usr/local/gamess/rungms script
> set path = ($path /usr/local/resp-2.2 /usr/local/gamess)
> --------------------------------------
>
> -------- resp + firefly/pc-gamess ----
> # you might update LD_LIBRARY_PATH to find required libraries
> setenv PCGAMESS_SCRDIR /tmp
> set path = ($path /usr/local/resp-2.2 /usr/local/firefly
> /user/local/openmpi32/bin)
> --------------------------------------
>
> regards, Francois
>
>
> > 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
>
>
>
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>
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Received on Thu Aug 30 2012 - 23:30:03 PDT
