[gmx-users] Poteintial energy of my system
shima_arasteh2001 at yahoo.com
Wed Dec 12 08:30:08 CET 2012
I ran grompp on my system:
#grompp -f minim.mdp -c system_inflated.gro -p topol.top -o em.tpr
#mdrun -deffnm em
When I get the ouput, the potential energy is a positive integer, I think it doesn't seem sensible. Does it?
Steepest Descents converged to Fmax < 100 in 4998 steps
Potential Energy = 1.1410846e+04
Maximum force = 9.4570084e+01 on atom 8800
Norm of force = 3.2672191e+00
What do you suggest me about my system? Do you think that it has any problem?
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