[gmx-developers] GROMACS test sets

Shachi Katira shachikatira at gmail.com
Fri May 6 21:11:53 CEST 2011


I'm in the process of modifying some of the pull code for free energy
calculations along a particular order parameter. What kind of tests can I
run to ensure that I haven't broken grompp or mdrun? (The GROMACS
Installation page says the current test sets are broken.)


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