[gmx-users] Why can't find .trr file?
spoel at xray.bmc.uu.se
Tue Dec 9 09:10:01 CET 2003
On Tue, 2003-12-09 at 07:11, wang chuanming wrote:
> deal all
> I have finished dynamics simulation of RNA using gromacs force
> field. when i analyse the results,i fould the .trr file is very huge
> (5.3G).So,i use the command "trjconv" to compress the file in order to
> minimize the space of the disk.
> [root at localhost root]# trjconv -f 2_md.trr -o 2_md.xtc
> but when i hit the enter, there are "fatal error"as follows:
> Will write xtc:compressed trajectory(portable xdr format)
> Fatal error :File 2_md.trr not found.
this is a Linux problem, your file is > 2 Gb. Check the gmx-users
archives for workarounds.
> next,i use the linux command "ls" looking for 2_md.trr in root
> [root at localhost root]#ls
> To my surprise,there is 2_md.trr file in root directory!!
> I want to know what happen to this and how to solve this problem.
> (I process this dynamic simulation using a single computer with 256M
> memory,1.7G CPU and 40G disk space)
> Thanks in advance!
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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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