Dear users
I m trying to access to q4md-force field tools mailing list (RED) but it doesnt work it seems. I m trying to use RED to derive charge for my structure. I have RED, Gamess-us, and resp (AMBER 8.0). I prepare the file.inp using Ante_Red and then sent it for optimization using Gamess. Later on, I should use RED for charge derivation but I got this error regarding to my RED;
* Operating system *
Linux localhost.localdomain 2.4.20-8smp #1 SMP Thu Mar 13 17:45:54 EST 2003 i686 i686 i386 GNU/Linux
ERROR: Select GAMESS-US, PC-GAMESS or Gaussian
I m using csh shell which is look like this after setting up everything;
#tcltk
set path = ($path /usr/local/tcltk/tcl8.5.6/bin)
#gamess
setenv ERICFMT /usr/local/gamess/ericfmt.dat
set GMSPATH=/usr/local/gamess
setenv GAMESSdir /usr/local/gamess
alias gms '/usr/local/gamess/rungms'
setenv resp /usr/local/amber8/exe/resp
setenv SCR /usr/local/QM_SCR
setenv GAMESS_SCRDIR /usr/local/QM_SCR
setenv SOFT /usr/local
set path = ($path $SOFT/gamess $SOFT/resp)
Any idea or suggestion?...Thank you so much in advance.
Rosa
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Received on Wed May 20 2009 - 13:19:47 PDT
