[gmx-users] temperature of simulated annealing

[Мижээ Батсайхан]

Dear gmx users,

I would like to study folding properties of functional peptide using MD
simulations both REMD and Simulated annealing. Can you give me advice
following topic.

How can I control the temperature of solution during the simulated
annealing? For example, I am planning to increase temperature of peptide
from 300 to 1000 K while temperature of peptide is held around 300 K. How
reasonable this simulation is?


Best regards,

Mijee