[gmx-users] epsilon_r vs. gb_epsilon_solvent

bo.shuang bs16 at rice.edu
Fri Apr 6 01:05:37 CEST 2012

Hi, all,

I have a question regarding epsilon_r value. Do I have to specify the
value in .mdp file? What is the default value if I do not specify it?

If I use implicit solvent, there is one parameter: gb_epsilon_solvent,
which is recommended to be 80 in the manual. What is the difference
between gb_epsilon_solvent and epsilon_r?

Thank you!


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