[gmx-users] cpp default location for mac osX in .mdp files

[David van der Spoel]

On Thu, 2003-05-15 at 11:52, Dr. Daniel James White PhD wrote:
> Thanks for the answer David,
> 
> but how do I get my .mdp files to be created with
> cpp = cpp
> instead of
> cpp = /lib/cpp
> by default,
> so I don't have to edit every single .mdp file I make,
> which might get a bit tedious?
> 
> is there some template I can change or is it hard coded?
> 
There is a default (hard coded in src/kernel/readir.c) but if
you add the line explicitly to your mdp file it will work.
For a new project I usually modifiy an old file anyway, that's how I
"create" an mdp file.


> cheers
> 
> Dan
> 
> 
> On Wed, 2003-05-14 at 17:20, Dr. Daniel James White PhD wrote:
> > Hi all,
> > =20
> > I am running gromacs on macosX/darwin,
> > =20
> > the operating system has cpp bit it is not in /lib/cpp
> > but can be called with just
> > cpp
> > =20
> > so I have to edit all my .mdp files to change the cpp line from
> > /lib/cpp
> > cpp
> > =20
> > then the file work!
> > =20
> > My question is:
> > How do I get gromacs to write the .mdp files with cpp instead of=20
> > /lib/cpp
> 
> Gromacs doesn't write mdp files, except grompp which copies all your
> input lines.=20
> If you have
> cpp =3D cpp
> in your mdp file it will work, and you can use it for any simulation you
> want.
> 
> > =20
> > where is the template file I should change? Is there one?
> > =20
> > or should I make a symbolic link called /lib/cpp pointing to the cpp=20
> > binary (which I'm not sure of the location of... it is part of the 
> > OSX=20
> > developer tools)
> > =20
> > cheers
> > =20
> 
> Groeten, David.
> ________________
> 
> 
> Dr. Daniel James White BSc. (Hons.) PhD
> Cell Biology
> Department of biological and environmental science
> PO Box  35
> University of Jyväskylä
> Jyväskylä FIN 40014
> Finland
> +358 (0)14 260 4183 (work)
> +358 (0)414740463 (mob)
> 
> http://www.chalkie.org.uk
> dan at chalkie.org.uk
> white at cc.jyu.fi
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-- 
Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Dept. of Cell & Mol. Biology
Husargatan 3, Box 596,  	75124 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://xray.bmc.uu.se/~spoel
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