From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Tue Nov 12 2013 - 16:17:13 CST
Dear Eudes,
This issue has just been fixed by Jim in CVS.
Best,
Jerome
----- Original Message -----
> Dear Eudes,
>
> Apparently that is due to this change in the code:
> http://www.ks.uiuc.edu/Research/namd/cvs2html/SimParameters.C_src_diff_1.1414_1.1413.html
>
> Unfortunately that change did not come with an update in the user
> documentation, and at this point I don't have time to try and guess what was
> intended with respect to the parameters alchLambda and alchLambda2. I don't
> want to propose an ill-informed fix that could break something else.
>
> Best,
> Jerome
>
>
> ----- Original Message -----
> > Dear NAMD users
> > I installed the new NAMD release (2.10) and now I got an error when
> > I use the fep.tcl script to calculate the free energy.
> >
> > This error not occurred to version 2.9. Someone would have a
> > guess what might be happening?
> >
> > Thank you
> > eef
> >
> >
> > Info: Configuration file is fep.namd
> > Info: Working in the current directory
> > /home/fileti/poliois-namd/namd-aditivo/methanol
> > TCL: Running FEP window 1: Lambda1 0.0 Lambda2 0.1 [dLambda 0.1 ]
> > TCL: Suspending until startup complete.
> > ERROR: The following variables were set in the
> > ERROR: configuration file but are NOT VALID
> > ERROR: alchLambda2
> > ERROR: alchLambda
> > FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE
> > [0] Stack Traceback:
> > [0:0] LrtsAbort+0x6b [0xca65ab]
> >
> >
> > _______________________________________
> > Eudes Eterno Fileti
> > Instituto de Ciência e Tecnologia da UNIFESP
> > Rua Talim, 330, São José dos Campos - SP
> > Página: sites.google.com/site/fileti/
> >
> > >
> > >
> >
>
>
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