[gmx-users] Nitrogen box

Justin A. Lemkul jalemkul at vt.edu
Sat Feb 26 13:45:50 CET 2011

sarah k wrote:
> dear users,
> I want to use Nitrogen as my solvent. How can I prepare the box and 
> compile the *.gro file? Please, guide me in detail. Thanks in advance!

Make a coordinate file for a single N2 molecule (should be really easy) and use 
either genconf -nbox or genbox -ci -nmol to create the solvent box, then 


> Regards,
> Fatemeh Keshavarz


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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