[gmx-users] Configurational bias Monte Carlo

[Benjamin Haley]

Hello,

    I have found the excellent documentation for creating polymer
chains in GROMACS.  I want to create several chains and pack
them into a volume, adjusting torsion angles to minimize
interactions with other chains (and self-interaction within a chain).
One method for doing this is the configurational bias Monte Carlo
sampling.  Can this (or something similar) be done in GROMACS?

Thank you!
Ben Haley
Purdue University