Dear Enrico: the error message is:
(MarTetSurf: : Out3) MarTet_TMP_SIZE exceeded.
Thanks
Alfredo
----- Original Message -----
From: "Purisima, Enrico" <Enrico.Purisima.cnrc-nrc.gc.ca>
To: <amber.scripps.edu>
Sent: Tuesday, June 03, 2008 10:55 AM
Subject: RE: AMBER: Trajectory in "Sietraj"
> Dear Alfredo,
>
> The trajectory used is an Amber trajectory with water molecules stripped
> out and generated with the nobox option. The suffix .trj was an
> arbitrarily chosen suffix in the examples and not meant to imply Gromacs
> files. Could you post the error messages? A common cause of errors is
> missing atom types.
>
> Regards,
> Enrico
> ---------
> Enrico O. Purisima
> Biotechnology Research Institute
> National Research Council Canada
>
>
> -----Original Message-----
> From: owner-amber.scripps.edu [mailto:owner-amber.scripps.edu] On Behalf
> Of Alfredo Quevedo
> Sent: Tuesday, June 03, 2008 9:35 AM
> To: amber.scripps.edu
> Subject: AMBER: Trajectory in "Sietraj"
>
>
> Dear Amber users. I have recently seen the link of the "Sietraj"
> application in Amberīs homepage, and found it ver interesting. I
> downloaded it and run the examples with everything running ok. I tried to
> apply this package to analyze my trajectories generated with Amber8 and
> found some errors with the calculation stoped. Searching the source of the
> problem, I find out that the examples of Sietraj are based on a .trj
> trajectory (I think that is Gromacs), so here comes my question: Has
> anyone tryed this software using an Amber trajectory? Otherwise, is there
> a way to convert the .mdcrd files into a .trj file?
> Thanks in advance for the help,
> Best regards
>
> Alfredo Quevedo
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Received on Wed Jun 04 2008 - 06:07:44 PDT
