[gmx-users] just being sure about energies from .edr files
David L. Bostick
dbostick at physics.unc.edu
Fri Apr 26 21:49:08 CEST 2002
When using g_energy to extract energies from a .edr file, the the energies,
system dipole, lengths, etc.. stick to the unit conventions outlined in the
beginning of the paper manual? I just want to be sure. i.e.
Energy => kJ/mol
Pressure => kJ/mol/nm^3
Length => nm
Dipole Moment => e*nm
et al
Thanks,
David
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David Bostick Office: 262 Venable Hall
Dept. of Physics and Astronomy Phone: (919)962-0165
Program in Molecular and Cellular Biophysics
UNC-Chapel Hill
CB #3255 Phillips Hall dbostick at physics.unc.edu
Chapel Hill, NC 27599 http://www.unc.edu/~dbostick
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