[gmx-users] estimated density while using solvate
mark.j.abraham at gmail.com
Wed Apr 20 00:53:50 CEST 2016
share/top/atommass.dat allows GROMACS tools to guess masses from atom names
On Tue, Apr 19, 2016 at 4:53 PM Irem Altan <irem.altan at duke.edu> wrote:
> When I use gmx solvate, it prints out an estimated density. Is it possible
> to know how this value is calculated? How is the solvent volume estimated?
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