[gmx-users] How good to use triclinic box for gormacs simulations?

vijayakumar gosu vijayakumargosu at gmail.com
Mon Oct 30 22:52:47 CET 2017

Hello all,

I have performed simulations for Protein RNA complex around 1500 residues.
I have used triclinic box with 1.4 nm distance from the edge of the box to
protein as triclinic box takes less number of water molecules (~100000)
compared to other boxes . The simulation results looks fine and i am able
to answer the biological question. however i have not seen many
publications using triclinic box. Hence i am bit skeptical and like to
know  there is any criteria to choose the simulation box.


More information about the gromacs.org_gmx-users mailing list