[gmx-users] removal of the initial periodicity by editconf

Justin Lemkul jalemkul at vt.edu
Sat Jun 22 16:11:39 CEST 2013

On 6/22/13 8:59 AM, Andrew Bostick wrote:
> Excuse me.
> when I use
> grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr
> I encounter with
> Fatal error:
> Unknown atomtype OW

Apparently something has gone wrong when editing the force field files.  I don't 
know what would have led you to remove OW, though.  Please go back and follow 
the procedure very carefully.



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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