[gmx-users] Nose-Hover chains for membrane protein simulation
jmsstarlight at gmail.com
Fri May 31 20:52:44 CEST 2013
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
How doest such options compatible with the simulation of membrane proteins
in general ? On what other options should I pay attention during simulation
of membrane protein with NH chains ?
Thanks for help,
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