From: Eudes Fileti (fileti_at_gmail.com)
Date: Tue Oct 29 2013 - 14:28:17 CDT
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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