[gmx-users] temperature of simulated annealing

Мижээ Батсайхан b.mijiddorj at gmail.com
Wed Apr 12 17:04:01 CEST 2017

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,


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