[gmx-users] grompp error testing water

Bjorn Sveinbjoronsson Bjorn.Sveinbjornsson at colorado.edu
Tue Mar 18 19:05:43 CET 2003


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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