[gmx-users] SPC vs TIP3P
arloa at dqb.fcq.unc.edu.ar
Fri Apr 25 14:46:02 CEST 2003
I'm getting some strange values for the electrostatic energies when comparing
SPC with TIP3P using PME.
Model elec. ener. per molecule
I Think that they should be quite similar since the charges are not so
If someone wants to have a look at this, I've attached the top and some
scripts I've used. (It will only take you 5 min to rerun)
Thanks in advance,
Grupo de Biofisica
Departamento de Quimica Biologica - CIQUIBIC.
Universidad Nacional de Cordoba.
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