From: Namd Namd (namd_10_at_yahoo.com)
Date: Sat Feb 25 2012 - 07:31:18 CST
I want to prepare a restart conf file to restart my md simulations from the last step of the previous job. So I searched for the restart conf files from mail archive and tutorials. Some of them include “firsttimestep 0” and others include “firsttimestep last step in namd.log file”. How can I specify "firsttimestep" when restarting the simulation? I think that if I specify "firsttimestep 0" I can restart from the last step of the previous job. Because I also determine binCoordinates, binVelocities , extendedSystem and comment the temperature . Is it true ?
Thanks for the help.
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