Test files for gromacs

V Vishal hema6ik at ccs.iitb.ernet.in
Thu Dec 28 08:23:40 EST 2000


Hello All,
  
   I am using GROMACS 2.0 for simulating protein systems to study folding.
I would like to know if anyone has created a set of test files (input plus
expected output) using which I can make sure that the GROMACS installation 
on my system is ok.
   The reason I am asking this is that I obtained very different results
after running MD simulations on SGI/MIPS and Intel pentium III processors.
Although this might well be due to the different internal precisions of
the processors, I would like to make sure that it is not a compilation
issue.
   If anyone has observed large differences in MD output from one
processor to another, please do let me know how the results can be
understood.

Thanks,
						             V Vishal
							Dept. of Chemistry
							   I.I.T Bombay


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