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

James Starlight 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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