[gmx-users] Re: DCD can not open file 'md_0_1.xtc' for reading
maggin
maggin.chen at gmail.com
Fri Jul 12 15:13:27 CEST 2013
at redhat INUXAMD64
use:
catdcd -o md_0_1.xyz md_0_1.xtc
error:
CatDCD 4.0
dcdplugin) unrecognized DCD header:
dcdplugin) [0]: 1995 [1]: 1059782656
dcdplugin) [0]: 0x000007cb [1]: 0x3f2b0000
dcdplugin) read_dcdheader: corruption or unrecognized file structure
Error: could not open file 'md_0_1.xtc' for reading.
Something wrong in somewhere, where is it ?
Thank you very much!
maggin
by the way,
1.Download catdcd-4.0b.tar.gz
2.tar -zxvf catdcd-4.0b.tar.gz
3. add path LINUXAMD64/bin/catdcd4.0 to .bash_profile
4. source .bash_profile
5. which catdcd
~/softwares/LINUXAMD64/bin/catdcd4.0/catdcd
6. cd LINUXAMD64/bin/catdcd4.0
7. ls
catdcd md_0_1.xtc
8. catdcd -o md_0_1.xyz md_0_1.xtc
error:
CatDCD 4.0
dcdplugin) unrecognized DCD header:
dcdplugin) [0]: 1995 [1]: 1059782656
dcdplugin) [0]: 0x000007cb [1]: 0x3f2b0000
dcdplugin) read_dcdheader: corruption or unrecognized file structure
Error: could not open file 'md_0_1.xtc' for reading.
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