Re: Problem with BEUS in NAMD 2.14

From: Giacomo Fiorin (
Date: Mon Aug 24 2020 - 14:42:34 CDT

If you look closely, the inputs here have two keywords in a single line.
This is a mistake:

Just add new line characters so that there is at most one command per
line. Please email Mahmoud about it, too.


On Mon, Aug 24, 2020 at 3:31 PM David Tang <> wrote:

> Hi,
> I am currently trying to calculate a free energy profile following the
> BEUS procedure described in this tutorial:
> When I run the simulations using NAMD 2.14, I keep getting the following
> error: colvars: Error: in parsing "centers" namd
> However, I am able to run the same simulation without getting an error
> using NAMD 2.12. Is there some specific change in NAMD 2.14 that is
> responsible for this error?
> Thanks in advance,
> David

Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Research collaborator, National Institutes of Health, Bethesda, MD

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