[CP2K:5094] FES

[T. Salavati fard]

Thanks all for your reply.
I've compiled fes and it seems working. But the problem is when I use it, 
in fes.dat all values are zero.
I've used following synatax:
fes.sopt [-cpmd] in a folder which contains colvar and parvar files.
any ideas?
Thanks in advance--

On Monday, March 24, 2014 2:36:48 AM UTC-4, Teo wrote:
>
>
> On 24 Mar 2014, at 00:00, Ole Schütt <o.... at schuett.name <javascript:>> 
> wrote:
>
>
> Actually, if you are using the latest svn version you now have to type 
> "make graph", because the names of the make-targets now match the names of 
> the executables. Alternatively, you can just call make without any targets, 
> which will build all executables including the fes tool.
>
>
> Not entirely true - using the SVN version, one can still compile FES, by 
> typing 
>
> > make fes
>
> alternatively also 
>
> > make graph
>
> works..
>
> Teo
>
>
>
> -Ole
>
>
>
> On 2014-03-23 22:39, Ari Paavo Seitsonen wrote:
>
> Dear T. Salavati fard,
>   In <cp2k-root>/src/metadyn_tools/, if you are using the latest
> version? It used to be in <cp2k-root>/tools/metadyn/ earlier. One
> compiles by typing "make fes" in '<cp2k-root>/makefiles'.
>     Greetings from Zurich,
>        apsi
> 2014-03-23 21:52 GMT+01:00 T. Salavati fard
> <t.sal... at gmail.com <javascript:>>:
>
> Dear all
> I am CPMD user. I am doing metadynamics calculations and I need to
> reconstruct FES. I know there is a code by Teo to reconstruct free
> energy surface using colvar and parvar files.
> My problem is finding FES program source!! I couldn't find that code
> to compile and try..
> I appreciate your helps--Thanks
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>   Ari Paavo Seitsonen / Ari.P... at iki.fi <javascript:> /
> http://www.iki.fi/~apsi/ [3]
>   Institut für Chemie der Universität Zürich
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