Aw: [gmx-users] Nose-Hover chains for membrane protein simulation

2013-06-02 Thread lloyd riggs
  Off subject, I thought a good pop up for the end of file processing etc...would be    ___  "Government spies are everywhere, they're in your home, they're in your hair  they're down the street and hiding in walls  They're waiting to take you away" Fabulo

[gmx-users] Nose-Hover chains for membrane protein simulation

2013-05-31 Thread James Starlight
Dear Gromacs users! I'd like to perform simulation of the membrane protein in lipid-water system using Nose-Hover with chains. >From manual I've found that with such thermostat I should use (1) md-vv integrator (2) MTTK instead of Parinello's batostat and (3) shake instead of LINCS. How doest