[gmx-users] equilibrium for water(pr.mdp)

sara elham saraelham82 at gmail.com
Wed Jul 11 10:42:51 CEST 2012


Dear Gromacs Users,

I have a system consists of cyclohexan, pentanol, surfactant and water
in MARTINI coarse-grained ff, when I do pr.mdp for this system
(posre.itp file is only for surfactant), water molecules are not
distributed and are aggregated in one place in the box.
I don't know what should I do!
Can you help me, Please?

Thanks in advance.
Best Regards
Sara



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