[gmx-users] Poteintial energy of my system

Shima Arasteh shima_arasteh2001 at yahoo.com
Wed Dec 12 08:30:08 CET 2012

 Dear users,

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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