[gmx-users] Re: Can I run BD in water media using Gmx? (Hu Zhongqiao)
Mark.Abraham at anu.edu.au
Wed Jan 10 07:36:10 CET 2007
Hu Zhongqiao wrote:
> 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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