[gmx-users] regarding genbox
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.
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