Hi Gmxers, Happy Valentine's Day!
Sorry, I am still simulating a protein that has water channel. I was just wondering if there is a way to calculate the water density in the channel throughout my trajectory. I was lucky enough to run a NPT simulation. So I guess I can use g_energy to directly get density. But since the number of the channel water is quite dynamic, I do not think I can separate energy group for them in my mdp. Could someone help me with this? Thanks, Yao
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