RanGenConf (rgc): random generation of solvent configurations

The rgc (RanGenConf) program generates a configuration of molecules that are randomly oriented in space. It will put the first molecule (the solute if present) in the center of the system, and then will put the other molecules at random orientations around it.

Publication

The RanGenConf procedure is described in more detail in:

M. Swart and P.Th. van Duijnen
"DRF90: a Polarizable Force Field"
Molec. Simul. 2006, 32, 471-484: [abstract]

Input options

See Job Setup how to setup a job, define box size, etc., and here for a list with all options in the $OPT namelist.

Updates

New in the 2007.01 release is the automatic adjustment of the overlap parameter, in order to fit the molecules into the box.
Therefore, one has to specify only the desired (macroscopic) density.

Download

A standalone version of the RGC program is available for download:
[Linux64 (2011)] [MacIntel (2011)]

Before RGC

After RGC