[gmx-users] regarding genbox

Mark Abraham Mark.Abraham at anu.edu.au
Mon Aug 15 14:33:36 CEST 2011

On 15/08/2011 9:22 PM, Justin A. Lemkul wrote:
> Ravi Kumar Venkatraman wrote:
>> Dear all,
>>             I wanted to insert two different solute in a same solvent 
>> box. Can anybody suggest me how to do it. Thank you.
> Assign positions to both solutes within the same box with editconf 
> -box -center (to manually set the COM position rather than allowing -c 
> to put them both in the same place), then concatenate the coordinate 
> files and solvate.

Alternatively, you can take two coordinate files, one with each solute, 
and use editconf to translate/rotate them so that their relative 
position is what you want, then concatenate them with a text editor 
(making sure not to break the file format), then solvate.


More information about the gromacs.org_gmx-users mailing list