[gmx-users] Generalized Born solvation

Ling Chan ling.chan at zymeworks.com
Wed Dec 4 20:20:29 CET 2019


Hello colleagues,

Is it that the Generalized Born solvation model has been dropped, and that there is no replacement for it? I am not after free energy numbers. I would just like to carry out MD without a periodic boundary, and account for water effects using the Born model.

Thank you!

Ling

( You can compare the last line of
http://manual.gromacs.org/documentation/current/user-guide/mdp-options.html
with
http://manual.gromacs.org/documentation/2018/user-guide/mdp-options.html#mdp-value-implicit-solvent=GBSA
)

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