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

Chang Woon Jang changwoonjang at gmail.com
Wed Aug 31 18:31:57 CEST 2016

Dear Nikhil Maroli,

    I think that the error comes from the incorrect format of topology
file. Therefore, I would like to create correct topology file for three
molecules. The system I used is a customized coarse-grained system to which
I mapped the atomistic system. Therefore, I need to modify the topology
file after using pdb2gmx.

   Thank you.

Best regards,
Changwoon Jang

On Wed, Aug 31, 2016 at 12:11 PM, 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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Best regards,
Changwoon Jang,

Postdoctoral Research Fellow
Department of Chemical & Biological Engineering, Drexel University
3141 Chestnut Street, Philadelphia, PA 19104

Voice: (662) 617-2267
E-mail: cj395 at drexel.edu

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