On 4/15/13 7:22 AM, Ahmet yıldırım wrote:
I did as you said. I corrected number of water molecules in the topology by
hand.
grompp -v -f minim.mdp -c protein-water.gro -p topol.top -o
protein-water.tpr
Steepest Descents converged to Fmax < 1000 in 3 steps
Potential Energy = -1.5700267e+05
Maximum force = 7.2195142e+02 on atom 3761
Norm of force = 1.3341200e+02
I think these results isnt normal. isnt it?
What exactly do you think is wrong?
-Justin
--
========================================
Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
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