don't put the word "trajectory" in quotes. But there's still a problem --
you can't load a file and then append a trajectory.
On Thu, Jul 26, 2012 at 9:29 AM, Andreas Truszkowski <[email protected]>wrote:
> Hi Rolf, hi Angel,
>
> using trajectories brings up some problems:
> 1) I have to use files (?)
> 2) What kind of filetypes have I to use or are supported.
> 3) When possible, how can I define several models in a single XYZ file.
> (Syntax)
> 4) The APPEND command seams not to work:
> file ERROR: java.io.FileNotFoundException:
> U:\Promotion\Sources\MFDPeptide\TRAJECTORY (Das System kann die
> angegebene Datei nicht finden)
> eval ERROR: java.io.FileNotFoundException:
> U:\Promotion\Sources\MFDPeptide\TRAJECTORY (Das System kann die
> angegebene Datei nicht finden)
> ----
> load append "TRAJECTORY" >> "d:/temp/test.xyz" <<
>
> Kind regards,
> Andreas
>
> Am 26.07.2012 13:36, schrieb Angel Herráez:
> > Hi Andreas,
> >
> > 1) Have you tried to use the TRAJECTORY option of load? (That only works
> > if all your models have the same atoms and bonds, but the memory and
> > speed improvements are large) Not sure if/how it may be combined with
> > DATA.
> >
> > 2) following Rolf's comment, ZAP may be used to delete models, and I
> think
> > that way it does release the memory used.
> > http://chemapps.stolaf.edu/jmol/docs/#zap
> >
> >
> >
> >
> >
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--
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Larson-Anderson Professor of Chemistry
Chair, Chemistry Department
St. Olaf College
Northfield, MN
http://www.stolaf.edu/people/hansonr
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-- Josiah Willard Gibbs, Lecture XXX, Monday, February 5, 1900
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