COLVAR printing

ilya ily... at gmail.com
Tue May 6 16:05:01 UTC 2008


When DO_HILLS is FALSE the program still asks for dummy SCALE value.
As I understand everything can be specified. If it's not difficult
maybe turn it off in case DO_HILLS is FALSE (for clearness).


On May 6, 7:47 pm, ilya <ily... at gmail.com> wrote:
> > This section is only for the subsys specification.. why should you
> > look into that one for printing during an MD??
>
> Just didn't completely understand the printing yet.
>
> On May 6, 7:37 pm, Teodoro Laino <teodor... at gmail.com> wrote:
>
> > If not doing metadynamics it does not work!
>
> > If you want just to print COLVARs during MD you've to do anyway
> > METADYN setting the kewyord:
> > DO_HILLS to FALSE (this is just a plain MD with the possibility to
> > use the print sections for metadyn).
>
> > Teo.
>
> > On 6 May 2008, at 17:34, ilya wrote:
>
> > > Thanks.
>
> > > Strange place for colvar printing. If not doing metadynamics it's very
> > > difficult to find.
>
> > This section is only for the subsys specification.. why should you
> > look into that one for printing during an MD??
>
> > > (I tried to find it in __ROOT__%FORCE_EVAL%SUBSYS%COLVAR%PRINT).
>
> > > Ilya.


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