I wish to run canonical ensemble simulations using memc2, and it seems I have achieved this using the conccons.in file:
1.0Cr + 0.0Mo + 0.0Nb + 0.0V = 0.25
0.0Cr + 1.0Mo + 0.0Nb + 0.0V = 0.25
0.0Cr + 0.0Mo + 1.0Nb + 0.0V = 0.25
0.0Cr + 0.0Mo + 0.0Nb + 1.0V = 0.25
However, when I initialize a high temperature simulation using -gs=-1, the actual concentration does not exactly match my wishes, and moreover it varies randomly from trial to trial. Is there some hidden way to either specify the initial concentration, or else to start memc2 from a given initial mcsnapshot.out type of file?
If there are no such features, please consider this as a feature request!
Thanks,
Mike