Justin A. Lemkul wrote:
cuong nguyen wrote:
Dear,
I would like to create a solution of mix substances (hexanol and
octanol) in water. I got top files and gro files of these alcohols
from PRODRG server. However I do not know how to mix these top file to
create topol.top file for this mixture.
Please read the tutorial:
http://www.gromacs.org/Documentation/Tutorials#Heterogeneous_Systems
Also possibly useful:
http://www.gromacs.org/Documentation/How-tos/Mixed_Solvents
-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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