Re: alpha pmf

From: Giacomo Fiorin (giacomo.fiorin_at_gmail.com)
Date: Mon May 09 2011 - 16:05:19 CDT

Hello Prathit: are you really sure that is the error message corresponding
to the file you posted, after removing atomsFile and the related options?
After trying your input on NAMD 2.8, it looks to me like you didn't remove
them.

This is the error message that you should get with your input, once you fix
it as I said:
colvars: Error: one or more of the components of colvar "hlx_frac" does
not support system force calculation.
(which means that the colvar "hlx_frac" has been enabled correctly, but ABF
can't be used with it unless you enable extendedLagrangian).

My suggestion is: first change the configuration file by removing atomsFile
and the related options (i.e. what I asked you already). Once you have
followed this suggestion, and get into a new and different error condition,
only then you can ask for more help.

Giacomo

---- ----
  Giacomo Fiorin - Postdoctoral Researcher
  ICMS - Institute for Computational Molecular Science - Temple University
  1900 N 12 th Street, Philadelphia, PA 19122
  giacomo.fiorin_at_temple.edu
---- ----

2011/5/7 Prathit Chatterjee <pc20apr_at_yahoo.co.in>

> Dear Jerome,
> I had meant that it gives me the same error message as previous--20cf305641bb331fd004a2de3405--

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