[gmx-users] removal of the initial periodicity by editconf
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.
Department of Biochemistry
jalemkul[at]vt.edu | (540) 231-9080
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