From: Jérôme Hénin (jerome.henin_at_ibpc.fr)
Date: Wed Oct 30 2013 - 11:07:33 CDT
Apparently that is due to this change in the code:
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.
----- 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
> Info: Configuration file is fep.namd
> Info: Working in the current directory
> 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
>  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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