[gmx-users] Residence time

Yildiz, Can Bora can.yildiz at rwth-aachen.de
Sat Aug 3 20:39:40 CEST 2019


Hi fellow GROMACS users,

I have run a 100 ns simulation of a protein in an aqueous solution and I’d like to know if it were possible to calculate the average residence time of water molecules around the protein and/or a specific residue within a given cut-off?   

Thanks in advance,
Can Bora


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