Value for "firsttimestep" when restarting MD

From: Bjoern Olausson (namdlist_at_googlemail.com)
Date: Tue May 05 2009 - 09:50:42 CDT

Hi all,

I have a short question about the "firsttimestep" keyword:

If my simulation ran for 10000 steps with a "dcdfreq" of 500, what would I
specify for "firsttimestep" to get a trajectory without gap when restarting
the simulation?

10000 or 10500?

------------------------------
firsttimestep 0
restartfreq 500
dcdfreq 500
xstFreq 500
outputEnergies 100
outputPressure 100

run 10000
-------------------------------

Thanks for your help
kind regards
Bjoern


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