Ilya Chorny wrote:
Hi I am running 4.0.3. I wanted to test the 4fs timestep with virtual
sites. I will be running a simulation with ~500K atoms.
At least your GMXLIB environment variable is pointing to a CVS version
of 4.0.4 (if you named that correctly). If you're having trouble, make
sure you have a clean install of a known and preferably most-recent
version. The wiki has a page on the correct use of GMXRC to make sure of
such things.
Mark
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