[gmx-users] Re: reasons for slow computation?
yunshi09 at gmail.com
Tue Oct 11 04:40:44 CEST 2011
I guess you are right, that some processors on that cluster appear to be
much slower than others.
But I am still wondering that, would the difference in initial maximum inter
charge-group distances (0.451 nm vs 0.450 nm) and minimum initial size of DD
gird (0.620nm vs 0.618nm) make the two simulations NOT comparable? Because I
want to compare the interactions of two different ligands with the same
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