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

Chang Woon Jang changwoonjang at gmail.com
Wed Aug 31 18:00:33 CEST 2016

Dear Nikhil Maroli,

   Thank you for your link. However, I think that the link is just the
example for a single type of molecule. My has three different types of
molecules combined into a single topology file (topol.top). In the
previous, I have three (TDM, J230, JMT) moleculetypes.

   I have the following error message. It seems that the initial
configuration fine but it keeps showing an error message.

Not all bonded interactions have been properly assigned to the domain
decomposition cells

A list of missing interactions:
         Tab. Angles of    856 missing      1

Molecule type 'TDM'
the first 10 missing interactions, except for exclusions:
         Tab. Angles atoms    1    3    2      global   201   203   202


Thank you.

Best regards,
Changwoon Jang

On Wed, Aug 31, 2016 at 11:35 AM, Nikhil Maroli <scinikhil at gmail.com> wrote:

> http://manual.gromacs.org/online/top.html
> And what is the error?
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