[gmx-users] Re: Can I run BD in water media using Gmx? (Hu Zhongqiao)

Mark Abraham Mark.Abraham at anu.edu.au
Wed Jan 10 07:36:10 CET 2007

Hu Zhongqiao wrote:
> Hi,
> Nobody implied me till now. So that means the current version can not do 
> BD by implicitly treating water into continuum media, i.e, use of 
> dielectric constant of water. I hope Gmx developers can help me to make 
> sure this. Till to now I am been using Gmx and in the near future I need 
> to do BD for longer time scale. If Gmx can not help, it will be bad.

GROMACS does not permit implicit solvent models for any of its 
integration methods. Other simulation packages do.


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