[gmx-users] SPC vs TIP3P

Marcos Villarreal arloa at dqb.fcq.unc.edu.ar
Fri Apr 25 14:46:02 CEST 2003

Dear all,

I'm getting some strange values for the electrostatic energies when comparing 
SPC with TIP3P using PME.

Model		elec. ener. per molecule
TIP3P		-895 
SPC		-48           

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,

Marcos Villarreal
Grupo de Biofisica
Departamento de Quimica Biologica - CIQUIBIC.
Universidad Nacional de Cordoba.
Cordoba. Argentina.
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