Questions and problems?

Miscellaneous dynamics questions

I was wondering if it is possible to restart a dynamics run at a point within a previous run. For example, say I do a 5000 step run, is it possible to restart at step 2500?

The only way to restart at a point within a previous run is to save coordinates to mdcrd & velocities to mdvel, then convert the snapshot at the desired start point to restrt format (carnal could be used). This will give a divergent run insofar as the precision is reduced vis-a-vis restrt format, just as restrt itself is reduced precision vis-a-vis the machine's (binary vs. ascii) representation of numbers.