Dear Gromacs users!
I want to perform simulation of the membrane protein in the Ccl4-membrane-mimicking interiour in the increaced ( up to 600 K) temperature on the nvt ensemble. As the consequence I'd like to protect the temperature caused destabilisation of my protein and simulate native-like conformation events in the speed-up manner. What should I use for preparing of my system? As I understtod I neen long nvt equilibration phase prior to productive run to addaptate my system to the uncommon conditions. For this I want to perform step-by-step increasing of the Ref_T for all separate groups of my system ( Protein_Ccl4, Water_Ions ). E.g I'll separate my equilibration phase on the 20 steps with the ref_t 310, 320, 330... 600K and the length of each step 50ps. Could this aproach could be usefull? What addition tricks could I use ( e.g dynamics of changing tau_t for different groups etc)? Thanks for help, James
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