[gmx-users] Dramatic decrease NVE production

Dorj Bat batdorj230 at yahoo.com
Fri Apr 17 16:54:03 CEST 2020


Dear users,
I would like to perform MD simulations using NVE simulation and to check temperature increasing behavior while applying an E-field. However, I started a short 100 ps simulation. Initial velocity was generated around T=300K. However, the system temperature was rapidly decreased around at 230 K. 
If you have any experience with this kind of situation, please advise me to handle the temperature without dramatic change during the simulation.
Best regards,
Bat



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