[gmx-users] particle transfer molecular dynamics
axk47 at psu.edu
Sat Jan 28 18:32:10 CET 2006
I want two boxes to be coupled together at T,P. one box will have water and the
other polymer and water. Do molecular dynamics in this two boxes until the
chemical potential of one box is equal to the chemical potential of the other
(in other words, to have phase equilibrium). In order to achieve that solvent
molecules must be transferred to the other box during the MD simulation .
is that feasible in Gromacs?
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