Re: [gmx-users] plateau in msd (glass transition); ref_t

2011-06-27 Thread Lutz Maibaum
On Jun 23, 2011, at 5:07 AM, Anja Kuhnhold wrote: I'm simulating a bead-spring polymer model (1600 chains and 10 beads per chain in a 26.6^3 box with pbc) with LJ and FENE potentials. I calculate the mean-square-displacement for different temperatures. For T=0.46 (in LJ units) I expected to

[gmx-users] plateau in msd (glass transition); ref_t

2011-06-23 Thread Anja Kuhnhold
Hi everyone, I'm simulating a bead-spring polymer model (1600 chains and 10 beads per chain in a 26.6^3 box with pbc) with LJ and FENE potentials. I calculate the mean-square-displacement for different temperatures. For T=0.46 (in LJ units) I expected to get a plateau in the msd curve (glass

[gmx-users] plateau in msd (glass transition); ref_t

2011-06-22 Thread Anja Kuhnhold
Hi everyone, I'm simulating a bead-spring polymer model (1600 chains and 10 beads per chain in a 26.6^3 box with pbc) with LJ and FENE potentials. I calculate the mean-square-displacement for different temperatures. For T=0.46 (in LJ units) I expected to get a plateau in the msd curve (glass