From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon Mar 25 2013 - 11:55:41 CDT
Hello Austin, you'll need GROMACS, AMBER, or DL_POLY with the PLUMED patch
for that. That specific type of variable is not supported in NAMD.
Giacomo
On Mon, Mar 25, 2013 at 11:35 AM, Austin B. Yongye <ybausty_at_yahoo.com>wrote:
> Dear namd-users,
> I read (Bonomi M et al. Phys. Rev. Lett. 104, 190601, 2010) that
> potential energy can be used as the collective variable in well-tempered
> metadynamics simulations. Please can someone let me know how this is done
> in the collective variables file?
> Thanks,
> Austin-
>
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