[gmx-users] trjcat

[Eric Smoll]

Hello Gromacs users,

I ran a 2 ns simulation (using "A.mdp" and "A.top") and obtained the files
"A.trr," and "A.cpt," and "A.gro."

I would like to continue the simulation over an identical interval with
identical settings. I executed the following commands:

grompp -f  A.mdp
             -c  A.gro
             -t  A.cpt
             -f  A.top
             -o  B.tpr

mdrun -s  B.tpr
           -o  B.trr
           -c  B.gro
           -e  B.edr
           -g  B.log

When I tried to concatenate the output with trjcat, I obtain

          File                Start time       Time step
---------------------------------------------------------
  A.trr        0.000 ps        0.400 ps
  B.trr        0.000 ps        0.400 ps WARNING: same Start time as previous

This warning is worrisome. Did I continue the trajectory incorrectly?

Best,
Eric