[gmx-users] Increase number of decimal places in force.xvg (g_traj)

Lee-Ping Wang leeping at MIT.EDU
Thu May 29 21:42:02 CEST 2008


Hi everyone,

Is there an option in g_traj to increase the number of decimal places in
the force.xvg output file?  Currently, it prints out the force to two
decimal places, but I need something closer to six decimal places (I
compiled GROMACS in double precision).  There is the -ndec argument in
trjconv, and I'm wondering if there's something similar for g_traj.
I've looked in the gmx_traj.c source code and tried changing the fprintf
statements, but I'm still getting two decimal places.  Anyone able to
help?  Thanks a lot.

- Lee-Ping




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