[gmx-users] Instalation of GROMACS
Tanos C. C. França
tccf at epq.ime.eb.br
Wed Dec 11 14:39:21 CET 2002
I believe that I've installed the fftw libraries and run the configure
script of GROMACS properlly once it didn't halted. The GROMACS 3.1 and fftw
libraries directories are in the root. The problem I'm facing is that when I
run a minimization in my area GROMACS don't recognize neither grompp_d nor
mdrun_d and gives me the message: "command not found".
If I decide to install GROMACS again, is it enough to delete the old
directories and download again ?
Another question: In configuration, when I have to type ./configure to
install double precision what is the right command ? "./configure --disable
float --enable-type- prefix" or "./configure --disable float --disable-type-
What is btw ?
Thanks a lot for your attention.
You'll have to clarify what "not working" means - what kind of error
message did you get?
Are the fftw libraries installed correctly, btw? You can see that when
you run the Gromacs configure script -
it halts if it doesn't find the libraries.
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