RESTART

This is part of the setup module

Activate restart.

This is a Setup directive and, as such, should appear at the beginning of the input file. It influences the way PLUMED treat files open for writing (see also Files).

Notice that it is also possible to enable or disable restart on a per-action basis using the RESTART keyword on a single action. In this case, the keyword should be assigned a value. RESTART=AUTO means that global settings are used, RESTART=YES or RESTART=NO respectively enable and disable restart for that single action.

Attention

This directive can have also other side effects, e.g. on METAD and PBMETAD and on some analysis action.

Options

NO	( default=off ) switch off restart - can be used to override the behavior of the MD engine

Examples

Using the following input:

d: DISTANCE ATOMS=1,2
PRINT ARG=d FILE=out

a new 'out' file will be created. If an old one is on the way, it will be automatically backed up.

On the other hand, using the following input:

RESTART
d: DISTANCE ATOMS=1,2
PRINT ARG=d FILE=out

the file 'out' will be appended.

In the following case, file out1 will be backed up and file out2 will be concatenated

RESTART
d1: DISTANCE ATOMS=1,2
d2: DISTANCE ATOMS=1,2
PRINT ARG=d1 FILE=out1 RESTART=NO
PRINT ARG=d2 FILE=out2

In the following case, file out will backed up even if the MD code thinks that we are restarting. Notice that not all the MD code send to PLUMED information about restarts. If you are not sure, always put RESTART when you are restarting and nothing when you aren't

RESTART NO
d1: DISTANCE ATOMS=1,2
PRINT ARG=d1 FILE=out1