[gmx-users] Creating a simple water box

there any other way to fine tune the gmx solvate command so as to generate the water box with density close to 1 g/cm^3, without the close contact problem? Best Regards, Mayank Dodia -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX

Re: [gmx-users] MDrun rerun issue

the gory details. The potential energy should be fine (unless you are introducing a periodicity artifact in how you are using trjconv), but why are you involving trjconv at all? gmx mdrun -rerun prdv.trr works. Mark On Tue, Jan 30, 2018 at 10:37 AM dodia wrote: Dear gromacs users, I am new

[gmx-users] MDrun rerun issue

for production simulation. prdv.trr contains all the positions, velocities and forces at every 1.5ps Best Regards, Mayank Dodia -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post?