[gmx-users] Instalation of GROMACS

[Anton Feenstra]

"Tanos C. C. França" wrote:
> 
>         Dear Erik,
>         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".

Did you run 'make install' also? Do you have your $path set to include
the /usr/local/whatever where the Gromacs binaries are installed?

>         If I decide to install GROMACS again, is it enough to delete the old
> directories and download again ?

Yes - and if you still have the .tgz file you don't even have to download.

>         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-
> prefix"  ?

The middle one: ./configure --disable-float --enable-type-prefix
--disable-float turns *off* single precision and uses double in stead
--enable-type-prefix turns *on* the _d in the binary names (e.g. mdrun_d)

>         What is btw ?

By The Way. - it is for lazy people that don't want to type too much ;-)

Btw, there are other short-hands commonly used in mailing lists:
IIRC: If I Recal Correctly - means writer of e-mail isn't sure
RTFM: Read The F*ck*ng Manual - means question is answerd in the manual
IMHO: In My Humble Opinion

-- 
Groetjes,

Anton
 ________ ___________________________________________________________
|        | Anton Feenstra                                            |
| .      | Dept. of Pharmacochemistry - Vrije Universiteit Amsterdam |
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