Dear all, I am a new user of GROMACS. Now I am using it on water permeability through a nano-channel. The pressure difference is applied by adding acceleration to water molecules in a periodic simulation box. To get the flow rate of water, I need to the number of water molecules through the channel or spatial velocity distribution in different regions.
I used to do similar simulations by LAMMPS. LAMMPS provides the function of "count (region, group)" or the command of "fix ave/spatial" for counting atom number or velocity distribution. I am wondering how I can do it in GROMACS. Does it have the same commands? I went over the manual and saw commands of "g_traj" and "g_spatial". Are they what I am looking for? Thank you very much for your attention. Best, Jason -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
