Hello,

I am trying to get the energies of individual waters in a trajectory. I
am currently using an index file that defines each water individually,
but, since I have ~9000 waters and can only define 254 energygrps at a
time, this gets ugly quickly. I found some discussion in the list
archices about possibly creating a module (g_strain) or adding an option
to gmxdump that would allow energy dumps of all atoms or pairs. Has
anything like this been developed? Or should I continue with my ugly hacks?

Thanks,

Ryan Day
Department of Physics
Rensselaer Polytechnic Institute