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
equilibrate.
-Justin
Regards,
Fatemeh Keshavarz
--
========================================
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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