AMBER Archive (2004)

Subject: AMBER: Temp control

From: ding (bj_0306_at_yahoo.com)
Date: Fri Aug 13 2004 - 13:46:20 CDT

Dear Amber Users,
 
We want to do MD simulation in explicit water and free energy calculation for DNA system. We did notice that the langevin dynamics (ntt=3) is used to control the temperature in Amber tutorial. Has anyone tested this new method in simulations? How does it work in temperature control compare to ntt=1?
Any suggestion is appreciated.
 
thanks a lot
Ding

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