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
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