[gmx-users] How to heat a system and equilibrate it?
Mark.Abraham at anu.edu.au
Sun Apr 13 12:00:02 CEST 2008
shuai lu wrote:
> Hello all,
> What does it mean by saying "the system was slowly heated to 310 K and
> equilibrated for 150 ps at 310 K to allow full relaxation of the
> system"? How to heat a system and equilibrate it?
It will be good for you to start with some tutorial material (see
GROMACS wiki and website), and/or background reading on molecular
dynamics simulations, and then to come back with some more focussed
More information about the gromacs.org_gmx-users