[gmx-users] epsilon_r vs. gb_epsilon_solvent

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 g

Re: [gmx-users] epsilon_r

fancy2012 wrote: Dear GMX users, I find this parameter epsilon_r in a tutorial of free energy calculation, but I don't know its meaning. And also I can't find it in the manual of version 4. Could somebody explain it for me? Thanks very much! Well, it's certainly in the manual - section

[gmx-users] epsilon_r

Dear GMX users, I find this parameter epsilon_r in a tutorial of free energy calculation, but I don't know its meaning. And also I can't find it in the manual of version 4. Could somebody explain it for me? Thanks very much! All the best, fancy-- gmx-users mailing listgmx-users@gromacs.