[gmx-users] Three molecules in single topol.top file

Mark Abraham mark.j.abraham at gmail.com
Wed Aug 31 18:31:14 CEST 2016


There's no need to use separate itp files.the include mechanism just pastes
it back in.

The actual error message shows you have an interaction that you have not
taught grompp how to handle. Investigate that.


On Wed, 31 Aug 2016 18:12 Nikhil Maroli <scinikhil at gmail.com> wrote:

> It is impossible to make any comments without knowing the simulation
> details. I hope it will help , if not provide the full details
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/
> gmx-tutorials/complex/02_topology.html
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