Hi, I want to run NVT equilibration for a protein molecule and want to increase temperature gradually i.e. from 0 to 300 K over a 20 ps, but i have some doubts regarding this:
1)Whether I should read velocities from previous steps of NVT during gradual heating or every time i have to generate velocities for the new temperature. 2)Whether the 20ps time is appropriate for this purpose. -- * --------------------------------- Thanks and regards Bipin Singh * * *
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