Dear all, I posted it days before. But no one replied.
I am wondering if someone has any suggestions about calculation of velocity distribution. Thank you very much. Best, Jason 2014-08-05 23:55 GMT-04:00 <jasonzhu...@gmail.com>: > 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.
