Dear Amber Users,
I would like to carry out a simulation of the protein of interest at high
temperature (425K) with TIP3P solvent to understand the unfolding process.
The starting structure for the 425K simulation is a stable PDB structure
extracted from an MD simulation performed earlier at 300K.
My question is that, for the high temperature simulation, whether I would
heat the protein (PDB from 300K simulation) from 0 K - 425 K in step wise
OR simply start from 300K to reach up to 425 K.
Any suggestions is highly appreciated.
Thanks
Biswa
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Received on Fri Apr 24 2015 - 07:30:03 PDT
