[gmx-users] grompp error testing water

[Erik Lindahl]

Hi  Bjorn,

Sorry for not responding earlier, haven't forgotten about it :-)

I'll start my old PC laptop into windows today and see if I can repeat  
it...

Cheers,

Erik

On Tuesday, Mar 18, 2003, at 10:05 US/Pacific, Bjorn Sveinbjoronsson  
wrote:

> Erik,
> I have completely re-installed the system from CYGWIN on up. A couple  
> of things
> to note. I changed the fmax variable in xutils.c to f_max when I got a  
> warning
> similar to an error reported Feb 14, compile error - MAC OSX . I have  
> copied
> cpp.exe from the /bin folder to the /lib folder so that it can be  
> found during
> grompp compilation.  I know that there is probably a better way of  
> doing this,
> i.e. linking, but I haven't advanced my UNIX/LINUX capabilities that  
> far yet
> ;-)  I am still getting the same errors as before regarding old and  
> new values
> not matching.  I found a e-mail from Dallas Warren on Oct. 11, grompp
> warnings.. which could be related that recommends changing the order  
> of the
> topology files, but I'm not sure how to go about this.
> Help,
> Bjorn
>
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------------------------------------------------------------------------ 
-----
Erik Lindahl, MSc, PhD     <lindahl at stanford.edu>
D109, Fairchild Building
Dept. Structural Biology, Stanford University School of Medicine
Tel. 650-7250754    Fax. 650-7238464