[gmx-users] about periodic boundary conditions

Haberl Florian Florian.Haberl at chemie.uni-erlangen.de
Fri Oct 29 09:27:20 CEST 2004

> Hi,
> I want to simulate a system with periodic boundary conditions only in x
> and
> y direction, but not in z direction. Are there any ways to realize that?

> Another question is when I install the Gromacs in an Alpha machine, I
> input
> the following commands and got:
> setenv CPPFLAGS -I/home/yy/fftw/include
> setenv: not found
> And I tried to input
> export CPPFLAGS=-I/home/yy/fftw/include
> CPPFLAGS=-I/home/yy/fftw/include: is not an identifier
> Can anyone tell me what I should do?

you need to know what kind of shell you are using on your system.
setenv is for all csh like shells and the export commands for bash like

use "echo $SHELL" in your console and it should show you up, like

echo $SHELL



 Florian Haberl              Universitaet Erlangen/Nuernberg
 Computer-Chemie-Centrum     Naegelsbachstr. 25, D-91052 Erlangen

 Mailto: florian.haberl AT chemie.uni-erlangen.de


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