From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Fri May 17 2013 - 09:56:36 CDT
Dear Ajasja,
Yes, we need a proper bug advisory for this one.
The staged moving restraints in NAMD 2.9 have an issue in which the restraint centers may evolve with incorrect steps, ie., the interval may be divided in (nstages + 1) instead of nstages. The actual restraint centers are always printed in the NAMD output (lines beginning with "colvars:"), so in doubt, you can check that.
This did not affect NAMD 2.8, and is fixed in CVS and the nightly builds.
Jerome
----- Original Message -----
>
> Dear Jérôme,
>
>
>
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> Indeed, the behavior you see is due to a problem in NAMD version 2.9.
>
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> Could you comment on what the issue was and if any other calculations
> may possibly affected?
>
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> Thank you & best regards,
> Ajasja
>
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