On 07/09/17 03:38, Tuanan Lourenço wrote:
Hi everybody,
I am working with electrolytes simulations using Gromacs, so I am trying to
get the residence time (ion pair lifetime, ion cage lifetime) of the ions.
I tried to use gmx hbond with the option -contat, but if try get the acf of
the
Hi Tuanan,
although it's not a distributable/documented code, I have an old Fortran
program (dating back to my PhD days) that does just that.
Please feel free to contact me off the list if you think it might be of any
use to you.
best
André
On Wed, Sep 6, 2017 at 10:38 PM, Tuanan Lourenço
Hi everybody,
I am working with electrolytes simulations using Gromacs, so I am trying to
get the residence time (ion pair lifetime, ion cage lifetime) of the ions.
I tried to use gmx hbond with the option -contat, but if try get the acf of
the interaction the program always has a crash, I also
