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12 Conformational Search

The CONGEN command performs a conformational search over a set of degrees of freedom that you specify. The first section in this chapter provides an introduction to this command. The remaining sections describe how to use the command.

Conformational search can take advantage of parallel processing in a highly efficient manner. See Parallel Command, for information on how to enable parallel processing. In addition, there are some options which affect the efficiency of the processing as described below.

There are a number of commands to assist you in searching conformational space. See Support Programs for Conformational Search, for more details.

N.B. The conformational search is designed to work only with explicit hydrogen or all hydrogen topology files.