[gmx-users] regarding genbox

Justin A. Lemkul jalemkul at vt.edu
Mon Aug 15 13:22:41 CEST 2011

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 A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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