[gmx-users] atomtype OW is not found

Justin A. Lemkul jalemkul at vt.edu
Mon Nov 21 19:29:43 CET 2011



Doaa Ragab wrote:
>  I am running membrane simulation in gromacs using the posted tutorial: 
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/membrane_protein/03_solvate.html
> 
> at the step of
> 
> grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr
> I am usually getting the error that: atomtype OW is not found.
> Can you help me in this.

You have removed too many lines in the [nonbond_params] section.  Only HW lines 
need to be commented out or removed (for convenience, really) but OW lines must 
be maintained.

-Justin

-- 
========================================

Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
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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