[gmx-users] Heating step by step.

[Vitaly V. Chaban]

annealing-time:  0.000 0.001 5.000 5.001 10.000   10.001  15.000 ....
annealing-temp: 0             20       20       40         40
60          60 ....

However, your simulation schedule makes little sense physically .

Remember that what you change here of the thermostat's reference
temperature, not your system's temperature.




On Fri, Sep 4, 2015 at 2:04 PM, Dawid das <addiw7 at googlemail.com> wrote:
> Dear Gromacs Experts,
>
> Is it possible to do following heating of my system:
> increase reference temperature by 20 K every 5 ps of simulation in one run
> until I reach 300 K?
>
> According to what I found in one of papers, it is possible to do with NAMD.
>
> Best wishes,
>
> Dawid Grabarek
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