[gmx-users] How to read xtc file?

[Mark Abraham]

Hu Zhongqiao wrote:
> 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?

Install gromacs. Then check that $(GMXHOME)/lib/$(CPU)/libxtfc.whatever 
exists.

Mark