Dear Gmx Users,<br><br>I am running 2 us simulation in implicit solvent model:<br><br>define = -DPOSRES<br>integrator = sd ; leap-frog integrator<br>nsteps = 500000000 ; 0.004 * 500000000= 2 us<br>
dt = 0.004 ; 4 fs<br>; Output control<br>nstxout = 0<br>nstxtcout = 50000 ; xtc compressed trajectory output every 2 ps<br>nstenergy = 10000 ; save energies every 2 ps<br>nstlog = 10000 ; update log file every 2 ps<br>
<br>How come my trajectory (trr) is being created and takes 80 GB?<br><br>Steven<br>