[gmx-users] density_SW_model

Sang-Min Park sanni at theochem.uni-frankfurt.de
Tue Feb 24 22:23:29 CET 2009

Hi David,

I ran also a system with NMA+SPC,NMA+SPCE and other models, but the 
density was always reasonable (around 1 Kg/L).
I used hereby the version 3.3.1. and all simulations were done in double 
precision including the simulations with SW water.

I will also install the newer version 4.x and rerun the simulation with SW 

Concerning the mdp file, are the parameters resonable ? (e.g. emtol, 
emstep). In the archives different values for emtol (1 KJ mol-1 nm-1 , 
0.1 KJ mol-1 nm-1 ) were suggested..

Sang Min

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