[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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