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

[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 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,
James