Restart Files

flo fsch... at
Wed Jan 4 19:01:55 UTC 2012


I think I see the Problem. There are two types of restarts. One is the
*RESTART.wfn file, which only contains the wavefunction. The printing
is controlled in the SCF section. The second is the restart of
velocities, thermostats,... and all the other settings. As there is no
point in writing them at a given SCF step (they don't change during
SCF), the printing is controlled in MOTION&PRINT. Here the defaults
might be different. If you try to set there EACH&MD 1 and remove the
keyword HIGH it should work.  What you will get is a file called
*.restart which will be overwritten every step by the latest restart
information. The  wbox-am1-N_YYY.restart files are slightly different,
as they provide you with a restart history which won't be overwritten.
If you want these files more frequently you will have to change the

Hope that helps

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