VMD-L Mailing List

From: manali_at_bioinfo.net.in
Date: Tue Feb 26 2013 - 03:59:34 CST

Hi,

I have a big trajectory file (18G) in dcd format generated by NAMD, that i
would like to convert to xtc format.
The way i tried it was to convert it from dcd to trr and then use trjconv
for trr to xtc, however this fails, giving error:

Last frame -1 time 0.000
Setting output precision to 0.001 (nm)
WARNING no output, last frame read at t=0

When i run a "gmxcheck -f traj.trr" it shows error:
Checking file traj.trr
Last frame -1 time 0.000
# Atoms -1
Last frame -1 time 0.000
Item #frames Timestep (ps)
Step 0
Time 0
Lambda 0
Coords 0
Velocities 0
Forces 0
Box 0

Is the catdcd not writing out properly or am i missing a key command in
gromacs to set the timestep?

Thanks in advance,
Manali 

-- 
Manali Joshi, Ph.D.