[gmx-users] grompp error testing water

Bjorn Sveinbjoronsson Bjorn.Sveinbjornsson at colorado.edu
Sat Mar 15 01:23:01 CET 2003


The command that I am using is exactly as in the "getting started" section of 
the manual. I.e. grompp -f water.mdp -p water.top -c spc216.gro -o water.tpr ...
I ran with the --debug and it created a log file. I am still confused what data 
it is comparing to home/Administrator/gromacs-3.1.4/share/top/ffgmxnb.itp to 
get the errors. 
Thanks,
Bjorn



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