Re: [gmx-users] About Temperature coupling and Energy Transfer....

On 11/20/12 5:42 PM, jhon michael espinosa duran wrote: Hi all. I am trying to simulate a protein initially at 0K in water at 310K. I couple the water to 310K with tc=0.5 and the Protein is decouple tc=-1. The idea is analyze how is the transfer of energy from the water to the protein. The

[gmx-users] About Temperature coupling and Energy Transfer....

Hi all. I am trying to simulate a protein initially at 0K in water at 310K. I couple the water to 310K with tc=0.5 and the Protein is decouple tc=-1. The idea is analyze how is the transfer of energy from the water to the protein. The interesting thing is that after 200ps the temperature of the