[gmx-users] tip5p water model:Atomtype LP1 not found
jalemkul at vt.edu
Mon Apr 15 13:42:03 CEST 2013
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
> grompp -v -f minim.mdp -c protein-water.gro -p topol.top -o
> 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 A. Lemkul, Ph.D.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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