From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
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 <quo.physics_at_gmail.com>
> When I run namd with multiple replicas metadynamics, I don't get files
> outputwq.colvars.name.replicaID.state and outputwq.colvars.name.replicaId.hills,
> where outputwq is the name of each outputName. Instead, the paths of these
> file are written in a file called metadynamics1.outputwq.files, text:
> These files should read outputwq.metadynamics1.1.state and
> outputwq.metadynamics1.1.hills, according to:
> 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,
-- 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> Scholar: http://goo.gl/Q3TBQU Personal: http://giacomofiorin.github.io/ Lab page: https://icms.cst.temple.edu/members.html *"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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