[gmx-users] How to read xtc file?

Hu Zhongqiao zhongqiao_hu at nus.edu.sg
Mon May 14 16:29:33 CEST 2007


Hi,
 
I have been thinking how to write a Fortran program to read xtc file for
a long time. The gmx homepage provides a code testxtc.
 
But when I simply compile it, some errors are shown as follows:
 
/tmp/ifortuDk9ZY.o(.text+0x5c): In function `MAIN__':
: undefined reference to `xdrfopen_'
/tmp/ifortuDk9ZY.o(.text+0xf0): In function `MAIN__':
: undefined reference to `xdrfopen_'
/tmp/ifortuDk9ZY.o(.text+0x1a1): In function `MAIN__':
: undefined reference to `readxtc_'
/tmp/ifortuDk9ZY.o(.text+0x25d): In function `MAIN__':
: undefined reference to `writextc_'

I guess it is related to the library xtcf. Gmx homepage says
 
To link your program use -L$(GMXHOME)/lib/$(CPU) -lxtcf on your linker
command line
 
But I dont know how to download and link this library. Anyone can give
me a clear guide to solve it?
 
Thanks in advance
 
Zhongqiao Hu
 
 
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