Hey Zach,
You may be best off starting from the free energy code. It can be used to
perturb charges and other things during a simulation.
Hope it helps,
Tsjerk
On Sep 13, 2011 2:55 AM, "Zach Levine" wrote:
Hi everyone,
I'm trying to implement time-varying charges for various ions located
in
Hi everyone,
I'm trying to implement time-varying charges for various ions located
in ions.itp in GROMACS 4.5.4, but I'm not sure where to begin.
I've already had some luck implementing AC external electric fields by
modifying /src/mdlib/sim_util.c, but this required minimal work from
me and a fe
2 matches
Mail list logo
