Have an atomic configuration that I have prepared using one run, that I want to use as the starting point for a series of other ones.
1) Is write_restart followed by restart2data the quickest and easiest way of doing this? I only need the atomic mass and coordinates as it is an lj/cut/opt, and I can fill in the details in the new input file.
If not what is?
2) Restart2data is segmentation faulting on me. Is it known to be working and under maintenance before I start heavy debugging? Yes I compiled with the same compiler etc. I also specified each of the pair coefficients in the input file explicitly instead of using * *. I have discovered that a number of the tools tend not to work when applied to my system, but if it's something simple I'd rather do that than write my own!
Regards,
Anthony