[gmx-users] How do I make an AOT reverse micell, which package I should use
harichem12 at yahoo.com
Sat Jul 13 03:36:03 CEST 2013
Hi all GROMACS users,
I need to make a pdb file of AOT reverse micell . Please some body tell me how do I build it and which package would best for this work. Now I am using PACKMOL but it seems just a geometrical mathematical manipulation. I want to arrange charge, LJ parameter, hydrogen bond length protonation state of the water molecules, and the proper orientation like angles as well. I don't know how do I use all these parameters in PACKMOL. So please advice me which package could be good for this purpose.
I appreciate your help.
Thank you very much
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