[gmx-users] potential on non-protein molecules

[Dallas Warren]

>The main problem I have depends on huge fluctuactions of temperature (10% 
>of the average value of 300K).

How many atoms in the simulation?  Possibility is, if there is a small 
number then fluctuations in the various properties is larger, since it is 
all meant to be a random process occurring.  Therefore, the more atoms 
present, the more stable things are .... ?

Just a thought.

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 9083
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