[gmx-users] Problems with trjconv, file too big
David van der Spoel
spoel at xray.bmc.uu.se
Sat Dec 27 09:54:00 CET 2003
On Fri, 26 Dec 2003, Yuhua Song wrote:
>> I think it has 3501 frames.
>> Check with gmxcheck -f *.trr
>Becuase the file is too big, so gmxcheck does not work also.
try one of the workarounds mentioned on the list before, like mounting the
disk through NFS, or upgrading your OS.
>> After having the size per frame, to cut your 7ns traj. in 500 frame pieces
>> you asked, cut the traj into 1 piece of 501 and 6 pieces of 500 frames.
>> It's more clear now?
>Thanks, I understand this. but when I split the big *.trr file using:
>split -b size of 501frame -b size of 500frame*6 *.trr
>it does not work, it seems that split can only split the big file into the
>small chunk of same size, what is your way to split the big file into small
>chunks? Please do not tell me that split the big file into 3501 files, then
>combine them together. I thinks that there should have some ways to split
>into several limited files such as 2ns interval, 1ns interval etc.
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David van der Spoel, PhD, Assist. Prof., Molecular Biophysics group,
Dept. of Cell and Molecular Biology, Uppsala University.
Husargatan 3, Box 596, 75124 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://xray.bmc.uu.se/~spoel
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