FEP/REMD with NAMD2.11 - missing alchLambda?

From: Nathan Lim (limn1_at_uci.edu)
Date: Wed Apr 06 2016 - 20:42:58 CDT

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Hello,

I am trying to run the example for FEP/REMD provided in the
/lib/replica/FEP_wca directory of the NAMD2.11 package but when I launch
the job I get the error:

> ERROR: 'alchLambda' is a required configuration option
> ERROR: when 'alch' is set
> ERROR: alchLambda defines: Coupling parameter value
> FATAL ERROR: ERROR(S) IN THE CONFIGURATION FILE

If I stick the 'alchLambda' option in the fep_solv_base.namd file, it
appears to just run regular FEP without replica exchange. I haven't made
any other modifications to the fep_solv.conf or FEP_wca.namd files. Am I
missing something here?

I can run the other replica exchange examples provided in the examples
/lib/replica/example folder, so I don't think it is an issue with my
installation.

Thanks,
Nathan Lim

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