Replica-Exchange MD

From: Mark Abraham (
Date: Mon Oct 31 2005 - 22:57:17 CST

Hi all,

Reading the very recent J. Comp. Chem 16:1781 paper describing NAMD, I
noticed the part where it says "Tcl scripting has been used to implement
the replica exchange method[103] using NAMD, without modifying or adding
a single line of C++."

Reference 103 is the seminal 1999 Chem Phys Lett paper of Sugita and
Okamoto, and makes no mention of either NAMD or Tcl scripts. The NAMD
documentation and website have no mention of the availability of such

Are these Tcl scripts available, and if so, from whom?


Mark Abraham

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