Dear gmx users,
I’ve started to run MD simulation of ion aggregation of aqueous solution. (JCP
145, 174501 (2016))
So I followed adding initial molecules(I gained BF4 ion topology from
https://atb.uq.edu.au/molecule.py?molid=26889) , em, ensembles and md
simulation. Then I calculated RDF but
Dear all gromacs users and developers
I make my own code based on definition introduced on paper of Luzar, Chandler
and Van der Spoel and compute correlation function so that It can have initial
value of 1 and approach to 0 as time goes on. I plot computed correlation
function together with
Hello, I'm an user of Gromacs who want to calculate hydrogen bond life time in
various system. I know that we can use h_bond module with -ac option to get
hydrogen bond lifetime between two groups but I want to make sure that how
those correlation function comes out.
I analyzed trajectroy of