[gmx-users] Box Pressure on individual box walls

Hello All, I was wondering if it's possible to get the pressure on individual walls of a pbc cubic box. I specifically want the pressure on the walls perpendicular to the x, y, z axis. Thank you for your time. -- gmx-users mailing listgmx-users@gr

[gmx-users] Printing thermo data

Hello All, I was wondering if it's possible to print to a file different thermo data, such as force on atoms, pressure, bond energies, ect? Thanks -- gmx-users mailing listgmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * P

[gmx-users] pbs not returning gromacs files

I'm not sure if this is the right place to be asking this but I haven't been able to find an answer. I'm using a pbs script to submit a parallel job of the water tutorial. So in my home file I have all of the files from the water tutorial and the output from grompp. If I submit my simulation