Hi-
Is there a way to automate multiple sequential discover runs? That is, I want to run an NVT simulation then an NPT simulation on the output of the NVT, then change temperature and repeat the process, but I don't want to always have to do this manually. Thanks.
Is there a way to automate multiple sequential discover runs? That is, I want to run an NVT simulation then an NPT simulation on the output of the NVT, then change temperature and repeat the process, but I don't want to always have to do this manually. Thanks.