VMD-L Mailing List
From: Guanglei Cui (cuigl_at_psu.edu)
Date: Thu Aug 11 2005 - 12:32:32 CDT
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Hi,
The python looks something like this ...
import ....
import ...
for frame in range(0, 10):
set_frame(0, frame)
closewat = AtomSel("resname CGW and all within 5 of resid 1 to 8000",
0, frame)
print frame, len(closewat)
In the first place, I thought it was memory issue because my trajectory
file is quite big. Then I found out it only happens to some frames. The
script wouldn't work even if I only have one such frame loaded. However,
all of this was observed with VMD on OSX (512MB memory). In windows ( a
machine with a 1GB memory), this didn't occur. The equivalent Tcl script
worked fine for the problematic frame I tested. So at this point, I
don't know what causes this. Thanks.
Regards,
-- Guanglei John Stone wrote: > Hi, > Can you show us the Tcl or Python code that you used that crashed VMD? > Is it possible that you're eating up all of your machine's memory and VMD > is crashing as a result of running out of memory? > > John Stone > vmd_at_ks.uiuc.edu > > On Thu, Aug 11, 2005 at 11:55:39AM -0400, Guanglei Cui wrote: > >>Hi, >> >>I am trying to calculate the close residues using VMD for a trajectory I >>have. However, at one frame, VMD crashed. I tried to do this through >>python and tcl interface. Both failed at the same frame. However, if I >>did it in the Graphics Representation dialogue, it worked fine. I'm >>using VMD 1.8.3 (Feb 15, 2005). Your help is greatly appreciated. >> >>Regards, >> >>-- >>Guanglei > >
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