Hii
Dear Francois, problem again,i have my gamess installed in
home/administrator not in usr /local so when i am setting path through
home/administrator i am getting the same problem. when i am trying to
install it in usr/local permission is denied. can u help me out plz. i will
be thankful if u plz tell me how to update LD_LIBRARY_PATH to find
required library. hope u help me. thanks in advance.
On Fri, Aug 31, 2012 at 11:43 AM, shomesankar bhunia <
rightclickatrighttime.gmail.com> wrote:
> 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
>>
>>
>>
>> _______________________________________________
>> AMBER mailing list
>> AMBER.ambermd.org
>> http://lists.ambermd.org/mailman/listinfo/amber
>>
>
>
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Received on Fri Aug 31 2012 - 13:30:03 PDT
