Hi everyone,

    Recently I simulated a system containing 1060 atoms, the first case:NVE, time step 1 fs, total simulation time 400ps, frame output every 1000 steps, the second case:NVE, time step 1 fs, total simulation time 1400ps, frame output every 2000 steps (used the last frame of  the first case as the initial frame of the second case), when the production run finished, I wanted to analyse the concentration profile of one type of atoms, in the first case , the consentraion analysis run well, hower, concentration profile analysis always failed in the  second case. does anybody encounter this situation before? how to resovle this problem? your help will be greatly appreciated.