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

[Mark Abraham]

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.

Mark