Re: trouble with colvars module

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Thu Feb 01 2018 - 12:54:34 CST

Hello Artur, is there a warning printed above the lines you listed? You
may have skipped through.

At any rate, the issue is explained in detail here:
http://colvars.github.io/README-totalforce.html

On Thu, Feb 1, 2018 at 1:48 PM, Artur Hermano <artur.hermano_at_hotmail.com>
wrote:

> Hello,
>
>
> I have recently begun using NAMD to perform ABF calculations and I'm
> having troubles with the colletive variables module.
>
> Even though I set the specific colvarsInput files (
> *abf31-33.colvars.state* and *abf31-33.colvars.traj* in this case), I
> keep getting the same error:
>
>
>
>
>
>
>
>
>
>
>
>
>
>
> *colvars: All output files will now be saved with the prefix
> "abf31-33_10ns.tmp.*". colvars: Saving collective variables state to
> "abf31-33_10ns.tmp.colvars.state". colvars:
> ----------------------------------------------------------------------
> colvars: Please review the important warning above. After that, you may
> rename: colvars: "abf31-33_10ns.tmp.tmp.colvars.state" colvars: to:
> colvars: "abf31-33_10ns.tmp.colvars.state" colvars: Exiting with error
> until issue is addressed. colvars: No such file or directory FATAL ERROR:
> Error in the collective variables module: No such file or directory
> ------------- Processor 0 Exiting: Called CmiAbort ------------ Reason:
> FATAL ERROR: Error in the collective variables module: No such file or
> directory Charm++ fatal error: FATAL ERROR: Error in the collective
> variables module: No such file or directory*
>
>
> This is throwing me off because I didn't specify any ".tmp" input in my
> .conf file. Neither have I set a ".tmp.tmp.colvars.state".
>
> I have never experienced this type of error before in my ABF simulations.
> So I really don't know what to do.
>
> I would really appreciate if you guys could help me out. Would you please
> shed some light on what I can do to avoid this error and run my simulations
> normally?
>
>
> Thank you so much!
>
> Have a nice weekend!
>
>
> --
>
>
> Artur Hermano
>
> Mestrando em Biologia Computacional e Sistemas
>
> Instituto Oswaldo Cruz
>

-- 
Giacomo Fiorin
Associate Professor of Research, Temple University, Philadelphia, PA
Contractor, National Institutes of Health, Bethesda, MD
http://goo.gl/Q3TBQU
https://github.com/giacomofiorin

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