[gmx-users] Error in pr

Mark Abraham Mark.Abraham at anu.edu.au
Sat Jul 28 05:24:54 CEST 2007

bmmothan at ucalgary.ca wrote:
> hi,
> did u specify an index file in your command line for the 2 groups (protein
> and SOl?

If you don't specify an index file, GROMACS will define such groups by 
default. I'm guessing the problem is arising because there's something 
else in the system that you need to include in one or other group.


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