[gmx-users] how to make topol.top file for mixed solution

cuong nguyen nvcuong68 at gmail.com
Mon Nov 7 03:59:25 CET 2011


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 help me.

Thank you very much.

Best regards,


Nguyen Van Cuong
PhD student - Curtin University of Technology
Mobile: (+61) 452213981
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