[gmx-users] a question

Yuguang Mu ygmu at theochem.uni-frankfurt.de
Fri Aug 22 09:16:02 CEST 2003


In the output log file in some case the following line is printed out
(when gromacs is compiled with assembly innerloops)
In other cases without assembly innerloops, this didnot print out.

I am worried about it, because it seems to effects the density of water.

***************************************************************
Going to use C-settle (573 waters)
wo = 0.888096, wh =0.0559521, wohh = 18.0154,
rc = 0.081665, ra = 0.00645837 rb = 0.051255, rc2 = 0.16333,
rone = 1, dHH = 0.16333, dOH = 0.1
***************************************************************

Dr. Yuguang Mu
Institute for Physical and Theoretical Chemistry
J.W. Goethe University Frankfurt am Main
Marie Curie Str. 11
60439 Frankfurt/Main, Germany
Tel: +49-(0)69-798-29711





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