[gmx-users] High temperature simulations

[Dallas Warren]

This is just a general question about high temperature simulations.  I 
don't do them, and don't see that I will need to, but are simply curious ....

Supposedly at 100oC, 373K, and 1 atm, water should boil.  Is it a 
deficiency in the force-field for H2O that it doesn't (i.e. it isn't a 
complete representation that exhibits this behaviour), or is something done 
to make it stay as a "liquid"?

Catch ya,

Dr. Dallas Warren
Research Fellow
Department of Pharmaceutical Biology and Pharmacology
Victorian College of Pharmacy
Monash University
381 Royal Parade
Parkville VIC 3010
dallas.warren at vcp.monash.edu.au
+61 3 9903 9076
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