GROMACS version:2020.2
GROMACS modification: Yes/No
Dear all,
I am trying to run an npt calculation for a pure organic solvent system. How to determine the compressibility then?
Many thanks in advance.
GROMACS version:2020.2
GROMACS modification: Yes/No
Dear all,
I am trying to run an npt calculation for a pure organic solvent system. How to determine the compressibility then?
Many thanks in advance.
Hi,
you can calculate isothermal compressibility
Kind regards
Alessandra