[Chimera-users] Bug (?) with EnsembleCluster
pett at cgl.ucsf.edu
Wed Jan 9 15:56:14 PST 2008
On Jan 9, 2008, at 3:32 PM, Francesco Pietra wrote:
> In the "Define script.." I defined "select ligand z<10", then OK
> and a BUG
> window was presented. Attached is the reply log (bug). I tried with
> z<4 with
> the same result (actually, I don't remember if attached bug file
> refers to z<10
> or z<4).
In the script-definition dialog you need to have "Interpret script
as" set to "Chimera commands". You had it set to "Python".
> Still found difficulties in loading more than one mdcrd, though
> this should be
> my fault. I was not sure if the list of mdcrd is to be given at
> beginning or if
> the other mdcrd files after the first one are to be given
> subsequently from the
> menu. I tried with the "list" option but only the first mdcrd was
When you run MD Movie and the dialog comes up where you specify the
prmtop/trajectory files, you can use the "Add..." button to add as
many trajectory files as needed. I think this means you "give it at
the beginning" rather than "subsequently from the menu" in your
You can also just list the files in a "metafile" for the command
line. For instance, this file works for me:
Note that there _still_ seems to be something funky with Amber
compressed trajectories, so don't use them for now but I should have
things fixed in a day or so with that.
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