[gmx-users] how many groups shall I use to control the temperature?
gchen511 at gmail.com
Thu Jun 12 08:38:16 CEST 2014
I have doubts that whether I should use two groups to control the temperature or just one since there are just 604 hundred Protein beads and 60000+ solvent beads. It is said that two groups are more accurate but when when i split them into two groups "Protein nonProtein", I found that fluctulation of temperature in group "Protein" are obvious, Im afraid that would have an effect on accuracy on my simulation results. So how many groups shall I use to control the temperature?
Thanks in advance
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