[gmx-users] High temperature Simulation
hmkvsri at gmail.com
Mon Oct 17 11:45:28 CEST 2011
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.
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