Dear all,
Using
g_angle -f ../trj1_0_100.xtc -s ../g_prot.tpr -n test.ndx -or -type
dihedral -e 10000
As expected, I obtained the following statement
[cut]
Group 0 ( Backbone) has 664 elements
There is one group in the index
Reading file ../g_prot.tpr, VERSION 3.2.1 (single precision)
Last frame 25000 time 10000.000
There are 166 dihedrals. Will fill 111 atom positions with cos/sin
[cut]
Then, when using the covariance analysis
g_covar -f traj.trr -s dummy.gro -nofit
It seems like the trajectory is of a different length, because a
different timestep seems to be used:
[cut]
Calculating the average structure ...
trn version: GMX_trn_file (double precision)
Last frame 25000 time 25000.000
Constructing covariance matrix (333x333) ...
Last frame 25000 time 25000.000
Read 25001 frames
[cut]
I suppose it's just because in the new trajectory the information of the
timestep length is lost. Am I right?
Thank you,
Fabio
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