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. Author manuscript; available in PMC: 2008 Mar 1.
Published in final edited form as: J Struct Biol. 2006 Oct 11;157(3):514–523. doi: 10.1016/j.jsb.2006.10.002

Table 1.

Summary of simulation protocols for several REMD simulations of Trp-cage

Simulation Starting Structure Simulation Time per Replica # of Replicas Temperature Range # of Exchanges (approx) Solvent Force Field
Native REMD Native 10 ns 71 280K–560K 270,000 Explicit Levitt et al.
Nonnative REMD Nonnative 10 ns 71 280K–560K 270,000 Explicit Levitt et al.
Zhou (2003) Native 5 ns 50 282K–598K 4000 Explicit OPLSAA
Pitera and Swope (2003) Extended 4 ns 25 250K–630K unknown Implicit Amber 94