[gmx-users] Temperature in simulation

Shima Arasteh shima_arasteh2001 at yahoo.com
Wed Oct 3 15:39:39 CEST 2012

Hi all,

I want to insert a protein in POPC lipid bilayer. 

First of all, I simulated POPC in water in 310 K. Now, I want to insert protein in lipid-water. To simulate protein-lipid-water system I want to run NVT in 300 K and then go on. Does anybody know it would be  incorrect logically ? 

As I know, 10 degree increase in temperature of system, may result in some troubles in my small protein. But I guess this would not happen for lipid bilayer.

Thanks in advance for your suggestions.


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