[gmx-users] SPC vs TIP3P

[Marcos Villarreal]

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 
different.

PD:
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.
http://www.fcq.unc.edu.ar/ciquibic
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