[gmx-users] value for epsilon_rf in a vacuum simulation
Rebeca García Fandiño
regafan at hotmail.com
Thu Apr 30 18:34:56 CEST 2015
Dear GROMACS users,
I am trying to carry out a simulation in vacuum (or gas phase). I have doubts about the proper values for epsilon_rf. I have found examples where this value is set to 78
and other examples where this value is set to cero (the default value, which means infinite).
Which would be the correct value for epsilon_rf in a vacuum or gas phase simulation? What about epsilon_rf=1? Would it not be the best option?
Dr. Rebeca Garcia
Santiago de Compostela University
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