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

Justin Lemkul jalemkul at vt.edu
Sun Jun 23 18:48:28 CEST 2013

On 6/23/13 4:47 AM, Andrew Bostick wrote:
> Dear Justin
> Thanks for your reply.
> I edited force field files (ffbonded.itp and ffnonbonded.itp) correctly and
> I checked all steps again.

Clearly something is still wrong, or you wouldn't be getting a fatal error.

> But there are same error.
> What is exact place of this OW atomtype.
> Please guide me to do this tutorial.

If followed exactly, I know the tutorial works as advertised; there is not much 
further guidance I can give besides what is written in the tutorial already.  If 
you want me to look at your ffnonbonded.itp file, please send it to me off-list.



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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