[gmx-users] tip5p water model:Atomtype LP1 not found

[Justin Lemkul]

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

-- 
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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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