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bmc. REMD simulation parameters were obtained using the online REMD temperature generator.
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    Sep 3, 2014 · Hybrid REMD is supported only in sander.

  • Go to the directory remd-temperature-generator-master and type in the terminal: php -S localhost:8000.
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    Replica-exchange molecular dynamics method (REMD) in temperature, pressure, and surface-tension space; Generalized replica-exchange with solute tempering (gREST) Replica-exchange umbrella sampling (REUS) with collective variables; Multi-dimensional REMD method (T-REMD/P-REMD, T-REMD/REUS, gREST/REUS, etc).

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    For REMD simulations, a total of 27, 42 and 56 temperature ranges of 300–430 K, 300–560 K and 300–680 K, respectively, are generated using the temperature generator for REMD simulations 59.

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    The solute temperature may be determined using the web server REMD Temperature generator [4].

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