[gmx-users] xtc C programming
David van der Spoel
spoel at xray.bmc.uu.se
Fri Feb 15 18:31:48 CET 2002
On Fri, 15 Feb 2002, Eviatar Tron wrote:
>Ive been trying to write a trajectory file using the
>xtc functions, but even the most primitive program,
>which is just
> int xfp=open_xtc("Traj.xtc","w");
>fails with a message:
>Fatal error: Trying to access non-open file 1075115271, in gmxfio.c, line 848
>the file descriptor assigned is 0, which seemd ok looking at xtcio.c
Strange, your code looks fine, except for the precision which should be
a power of 10 (not formallym but to make sense).
Do you link the stuff with -lgmx?
Otherwise feel free to send the code to me.
Dr. David van der Spoel, Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576, 75123 Uppsala, Sweden
phone: 46 18 471 4205 fax: 46 18 511 755
spoel at xray.bmc.uu.se spoel at gromacs.org http://zorn.bmc.uu.se/~spoel
More information about the gromacs.org_gmx-users