[gmx-users] energy units?!
Luciano
ltcosta at universiabrasil.net
Wed Apr 28 16:12:00 CEST 2004
The parameters are described in ffoplsaanbon.itp file in the top
directory of gromacs.
Ar Ar 39.948 0.0 A 3.41000e-01 2.74580e-02
Energy Average RMSD Fluct. Drift
Tot-Drift
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Density (SI) 29.7221 3.30004 0.400205 -0.0567363
What do you think ?!
Cheers,
Luciano
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Luciano Tavares da Costa
Mestre em Engenharia Química
icq #232852036 ; ltcosta at universiabrasil.net
Doutorando Laboratório de Espectroscopia Molecular
Instituto de Química - USP
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