I ran a replica exchange MD simulation. In the input script I
use the "restart" command to write restart files. E.g. I have
3 temperatures defined
variable t world 300 320 340
then I used
restart 1000 restart.T$t.*
to write restart files every 1000 steps.
Because each replica ran on a partition, I got 3 series of
restart.T300.1000, restart.T300.2000, ....
restart.T320.1000, restart.T320.2000, ....
restart.T340.1000, restart.T340.2000, ....
Now my question is how I should use these restart files
to continue the REMD simulation?
According to the document, the restarting of REMD is
controlled by the "temper" command. There I can use
the optional argument to specify a list of temperature indices.
But these indices are just numbers, how can I relate them to
the file names?
Could anyone explain this for me? (better with input script example)