Dear Steve
No, the temperature and pressure values are different, but the coordinates are same. Also while using rerun in one case, the temperature remains constant, where as the original run there is a change. I was using a NPT simulation in the original case. I cross checked for position of some of the atoms and it is the same (for the random atom ids selected)
%% Actual_data Temp Press
1500000 0.9953527 0.051613661
1510000 0.99775466 0.066381157
1520000 0.99809234 -0.0084161302
1530000 0.99533882 0.0274594
%% Rerun_data Temp Press
1500000 0.99643469 -0.1219043
1510000 0.99643469 -0.1083257
1520000 0.99643469 -0.18261383
1530000 0.99643469 -0.14691526
For one case, the “ix” values are exactly off by 1 (where as for a second case, this was matching). All I did was to
change the cut off distance apart from the following addition of code.
rerun coord.1500000.txt first 1500000 last 1530000 dump x y z
Am i doing something wrong while applying the rerun input?
Thanks n Regards
Vaidyanathan M S