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

[Chang Woon Jang]

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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