[gmx-users] Problems with trjconv, file too big
yhsong at ccb.wustl.edu
Wed Dec 24 00:42:00 CET 2003
Thanks, I check the mailing-list. and I find the information as below:
"break down the big file into smaller pieces using 'split'.
You have to know the number of frames, the filesize and then
divide the filesize by frames+1. This will give you the
size per frame. And then you can make the chunks you want...."
my file cases is: 7ns: 3500frames. one frame size is 1410block, If I want to
split the *.trr file in 1ns chunks ( 1ns has 500 frames), the split size
should be (500*oneframesize) or (501*oneframesize)?. I am a little confused
how to deal with that extra one frames, the extra one frame is at the
beginning of the file or at the end of the file?
> Check gromacs e-mail list (issue: file too big? , Apr 2003), it has good
> solutions for your "problem".
> Use the split command under unix like systems, to cut your big traj into
> smaller pieces (< 2GB , think this is the upper error limit).
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