[gmx-users] High temperature Simulation

Kavyashree M hmkvsri at gmail.com
Mon Oct 17 11:45:28 CEST 2011

Dear users,

For simulating a protein at high temperature (more than 300K,
less than 400K) using OPLSAA forcefield, what are the parameters
other than Temperature that need to be taken care of?
Does the energy minimization step also needs to be done at high
temperature? (here my aim is not to simulate an unfolding event)
I have a reference -
Biophysical Journal Volume 94 June 2008 4444–4453

Any other references or suggestions will be helpful.

Thanking you
With Regards
M. Kavyashree
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