From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Wed Jul 28 2021 - 08:22:44 CDT
Hi, can you make sure that your NAMD build supports gspath? This means not
only *version 2.14 or higher*, but also an executable built with C++11
features enabled (not the default in older systems, which are still
nonetheless operational):
https://urldefense.com/v3/__https://colvars.github.io/README-c**A11.html__;Kys!!DZ3fjg!rKbt0VPgrT4ThZiem335_Se87rKEZNjd-tVRQrlAPU508Lxbn9q-LWy6GSn1aKlJxQ$
Giacomo
On Wed, Jul 28, 2021 at 6:12 AM Vidhya Sankar <
vidhyasankar7928_at_remove_yahoo.com> wrote:
> Dear Namd users
> I am using pdb file at specific interval as path CV but
> then i run the calculation i got error as follows
> colvars: Initializing a new collective variable.
> colvars: # name = "colvar2" [default]
> colvars: Error: no valid components were provided for this collective
> variable.
> FATAL ERROR: Error in the collective variables module: exiting.
> It would be highly appreciable if someone help me to rectify error my
> CVinput file as follows
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> *colvar { name gs lowerBoundary 70 upperBoundary 145 width 1 # The
> path is defined by 5 reference frames (from string-00.pdb to string-04.pdb)
> # Use atomic coordinate from atoms 1, 2 and 3 to compute the path gspath {
> atoms { atomNumbersRange { 1-1589 } } refPositionsFile1 0.pdb
> refPositionsFile2 100.pdb refPositionsFile3 200.pdb refPositionsFile4
> 300.pdb refPositionsFile5 400.pdb refPositionsFile6 500.pdb
> refPositionsFile7 600.pdb refPositionsFile8 700.pdb refPositionsFile9
> 800.pdb refPositionsFile10 900.pdb refPositionsFile11 1000.pdb } *
>
> *}*
>
> With High Regards
> S.VIDHYA SANKAR
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