[gmx-users] Condensation analysis

Jacob Spooner Jacob.Spooner at ufv.ca
Wed May 13 18:42:29 CEST 2009

I am doing some simulations involving high pressure condensation of hydrocarbons.  I have read that Gromacs can be used for condensation analysis.  I have been looking at the g_cluster and g_clustsize commands, and I think that they will be my tools.  My main question is that if I am using g_cluster to identify a condensation "droplet", will the Jarvis Patrick method be the one that I would choose?  My other concern is that I have misunderstood g_cluster completely and it will not do what I want. Any help and comments would be greatly appreciated.


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