Re: multiple replicas metadynamics

From: Giacomo Fiorin (
Date: Sun Jan 08 2017 - 17:37:21 CST

Hi Mihaela, this is a bug fixed a while ago.

Please update to the latest NAMD.


On Fri, Jan 6, 2017 at 9:24 PM, Mihaela Drenscko <>

> Hi,
> When I run namd with multiple replicas metadynamics, I don't get files
> and,
> where outputwq is the name of each outputName. Instead, the paths of these
> file are written in a file called metadynamics1.outputwq.files, text:
> /.colvars.metadynamics1.1.state
> /.colvars.metadynamics1.1.hills
> These files should read outputwq.metadynamics1.1.state and
> outputwq.metadynamics1.1.hills, according to:
> colvarbias_meta
> So these files can't be read by other replicas and pmfs can't be combine
> into one. All i get are partila pmf, from each replica.
> Any suggestions, what is wrong? Why .state and .hills files are not
> written with outputName prefixes, without the need foe their paths to be
> written in afile?
> Thank you,
> Mihaela

Giacomo Fiorin
Associate Professor of Research
Institute for Computational Molecular Science (ICMS)
College of Science and Technology, Temple University
1925 North 12th Street (035-07), Room 704D
Philadelphia, PA 19122-1801
Phone: +1-215-204-4213 <(215)%20204-4213>
Lab page:
*"As computer programmers we have a responsibility to make sure that we run
the computers instead of the computers running us."*  - Steve Oualline

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