[gmx-users] profiles az a function of z

Hello, In a simulation, how is it possible to extract the profiles e.g. potential as a function of z (coordinate axis of box)? Payman ___ gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users Please search

Re: [gmx-users] profiles az a function of z

Paymon Pirzadeh wrote: Hello, In a simulation, how is it possible to extract the profiles e.g. potential as a function of z (coordinate axis of box)? g_potential can do this for electrostatic potential, but I don't know about anything else. I don't think it is a trivial question to

Re: [gmx-users] profiles az a function of z

Well, the main purpose is to average the energy or any desired property along any desired coordinate axis. simple binning of the box will do the job, but I was wondering if this can be done in general with gromacs post simulation tools. Payman On Fri, 2009-10-16 at 16:05 -0400, Justin A. Lemkul

Re: [gmx-users] profiles az a function of z

Paymon Pirzadeh wrote: Well, the main purpose is to average the energy or any desired property along any desired coordinate axis. simple binning of the box will do the job, but I was wondering if this can be done in general with gromacs post simulation tools. No, there is no general way to do