[gmx-users] How to specify cpp in Windows and ......?

xiaobing tian xiaobingtian at yahoo.com
Fri Mar 19 15:46:05 CET 2004

Hi, Nunolf,
Thank you very mcuh for your reply. I am newer and just start learning Gromacs.
In my Windows XP, I added a line SET PATH = C:\ gromacs\bin in autoexec.NT file
( i installed gmx under C: \gromacs), then restart my PC. When i used pdb2gmx comand to check if it works, it did not.I think I did not set it correctly, but i don't know why. Could you kindly give me a more detailed instruction?
Thank you for your time.

"Nuno R. L. Ferreira" <nunolf at ci.uc.pt> wrote:
Hi Tian

This question was already answered in this miling list.

On Thursday 18 March 2004 03:47 pm, xiaobing tian wrote:
> Dear Gromacs userers,
> I have installed Windows version of the Gromacs in my Windows XP system.
> Since cpp already is in the bin directory, I edited the .mdp files and
> specify the location of cpp by \bin\cpp. But when i run grompp, it says :"
> can not find cpp". What should I do?
> Which command in Window is equivalent to "which cpp" in Linux?
> I have to copy the binary files (e.g. pdb2gmx, grompp etc) into my work
> directory in order to run them. Is it possible to specify or make a link to
> the bin directory in Windows?

Suppose you have installed gmx under

1- set Path variable environment to include C:\gromacs\bin
2- restart PC
3- define cpp in your mdp files as : cpp = C:\gromacs\bin\cpp

and you are done


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Xiaobing Tian  Ph.D.
Department of Microbiology and Immunology
Thomas Jefferson University
1025 Walnut St., Suite 420
Philadelphia,  PA19107
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