[gmx-users] Can I run BD in water media using Gmx?

Hu Zhongqiao zhongqiao_hu at nus.edu.sg
Mon Jan 8 11:15:10 CET 2007


Dear users,
 
I wonder if I can run Brownian Dynamics in water media using Gmx.
Although I know we can set integrator=bd, I dont know how to set
dielectric constant of water in Gmx parameter file. Anyone could give
some hints for this? thanks
 
Zhongqiao Hu
 
Lab E5-04-27
Tel: 65161946(O)
Department of Chemical and Biomolecular Engineering
National University of Singapore
117576, Singapore
 
 
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