[gmx-users] generate solvents

Rongliang Wu wurl04 at iccas.ac.cn
Sat Nov 26 12:27:57 CET 2005

Hello gmx-users,

	since i can generate a pure solvent of water easily with "genbox -cs spc216.gro -box i j k", how can i generate a solvent or mixed solvent of anthing else? i wonder how i can gennerate a box of solvents like spc216.gro, which can be used for generating solvents with genbox, from a single molecule? are there any strict constraints if i use -ci and -nmol, for the system i used to generate with -ci and -nmol does not work normally.  



Rongliang Wu
State Key Laboratory
of Polymer Physics and Chemistry
Center of Molecular Science
Institute of Chemistry
Chinese Academy of Sciences

          wurl04 at iccas.ac.cn

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