[gmx-users] regarding genbox

[Justin A. Lemkul]

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.

-Justin

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Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin

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