[gmx-users] installation

Nuno Azoia nazoia at det.uminho.pt
Tue Jun 2 12:32:35 CEST 2009


Just like Manik Mayur suggested, the problem should be the links:
Gromacs gives you the possibility to create links to /usr/bin directory
(ot something similar). If you didn't do that, one of the option is
trying to run the programs using the full path. Instead of using
pdb2gmx, try to use /usr/local/gromacs/bin/pdb2gmx. Replace
"/usr/local/gromacs" with the directory where you install gromacs. If
you didn't choose anything it probably is /usr/local/gromacs.

I hope this can help

Nuno Azoia

On Tue, 2009-06-02 at 12:21 +0530, Samik Bhattacharya wrote:
> hi,I
> i am facing a lot of troubles in installing Gromacs in my Redhat
> machine..I've followed all the instructions given in the manual as
> well as in the website. ialso have installed fftw,its compiling with
> no problem. . but whenever i run pdb2gmx or command lke that its
> giving an error "command not found". a little help regarding this
> matter will be very encouraging. 
> thankx
>  Shamik
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Nuno Gonçalo Azoia Lopes
Finishing Research Laboratory
Textile Engineering Department
Universidade do Minho
Campus de Azurém
4800-058 Guimarães
Tel: +351 253 510 280 - Ext: 517 289
Fax: +351 253 510 293
Mobile: +351 965 382 487
E-mail: nazoia at det.uminho.pt

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