Mark Zottola wrote:
I know this will get an rtfm response, however, I am writing this after
looking at the online help pages and perusing the email archive.
Simply put, I have a 750 ps simulation that I want to run for another
750 ps. Is there a clear explanation somewhere for how one should do
this?
Specifically, if I shut off the gen_vel option in my mdp file and use
the the "-t" option to specify my first trajectory file are these the
only changes necessary? If I keep all other options identical will I
get the 750 ps continuation I desire?
For a more complete discussion of the issue, see
http://wiki.gromacs.org/index.php/Doing_Restarts
Mark
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