Re: Error in Metadynamics Simulation

From: Giacomo Fiorin (
Date: Thu Oct 22 2015 - 15:41:57 CDT

That error message is printed when you read a restart file. When you do,
check to make sure that the configurations are identical (same system, same
colvars definition). If these are both identical, please submit a test
input that reproduces the error at the first step.


On Wed, Oct 21, 2015 at 5:31 PM, Fidan Sumbul <> wrote:

> Dear NAMD users,
> I submitted a 500000 step metadynamics simulation. At the beginning it was
> running successfully, however after 291500th step it was terminated with an
> error statement "colvars: Error: in the restart file, the "metadynamics"
> block has a different name: different system?" although the restart files
> exist. What could be the source of this error?
> Any help would be greatly appreciated.
> --
> Fidan Sumbul
> PhD Student and T.A.
> Polymer Research Center
> Department of Chemical Engineering
> Bogazici University

Giacomo Fiorin
Assistant 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

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