Re: error reading colvars.conf in REUS

From: Giacomo Fiorin (
Date: Fri Nov 06 2015 - 14:41:42 CST

Hello Chitrak: can you perhaps add to the replica.namd a Tcl check the
presence of the file before executing NAMD? Something like an error
message that gives you the replica number that is showing this error may
help you dissect the problem.


On Thu, Nov 5, 2015 at 5:45 PM, Chitrak Gupta <> wrote:

> Hi,
> I am trying to work through the tutorial of replica exchange umbrella
> sampling in NAMD. Somehow, I am getting the following error, although I do
> have the colvars.conf file in the folder.
> colvars:
> ----------------------------------------------------------------------
> colvars: Initializing the collective variables module, version 2014-10-23.
> colvars:
> ----------------------------------------------------------------------
> colvars: Reading new configuration from file "colvars.conf":
> colvars: Error: in opening configuration file "colvars.conf".
> colvars: No such file or directory
> colvars: If this error message is unclear, try recompiling with
> FATAL ERROR: Error in the collective variables module: No such file or
> directory
> [0] Stack Traceback:
> Has anyone else faced this issue? I saw there was a bug regarding loading
> colvars for restarting the simulation, but right now I am just running the
> job0.conf file. Also, I am using NAMD 2.10
> Best regards,
> Chitrak.

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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