[gmx-users] GROMACS for replica exchange - recommendation for the research papers

Gil Vernik GILV at il.ibm.com
Mon Dec 9 08:12:42 CET 2019


I managed to follow the tutorial on replica exchange by Mark Abraham. It?s 
really great  tutorial and GROMACS works amazingly fast.
Can someone point me please to the research paper(s)  that describe some 
real life experiments or benchmarks running replica exchange simulations 
with GROMACS? 
I don?t really care if it?s protein folding or something else, but I need 
to be able to easily repeat the experiment/benchmark/etc. by myself and I 
prefer some scenario that takes many hours to run

Can you recommend some relevant research papers?

Thanks
Gil






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