[Chimera-users] How to input more than one mdcrd file
Eric Pettersen
pett at cgl.ucsf.edu
Mon Jan 7 13:01:42 PST 2008
There was/is a bug in handling compressed Amber trajectories in that
the number of frames was being estimated based on the compressed file
size rather than the uncompressed size. Therefore it was only using
a fraction of the available frames -- and therefore specifying
multiple compressed coordinate files would seem like it was using
only the first one since the sum of the under-estimated frame numbers
might add up to approximately the correct number for the first file
alone.
The fix will be in tomorrow's daily build.
--Eric
On Jan 4, 2008, at 7:06 AM, Francesco Pietra wrote:
> I was unable to input more that one mdcrd file to MD Movie (to get
> a single pdb
> file for EnsembleCluster). I tried by either giving the files one
> to one, or
> with the following prod.meta:
>
> amber
> my.prmtop
> prod1.mdcrd.gz
> prod2.mdcrd.gz
> prod3.mdcrd.gz
>
> Always, I got prod1 trajectories alone.
>
> I used compressed coordinate files also when fed one to one. I did
> not try
> with non compressed files.
>
> Thanks
>
> francesco pietra
>
>
>
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