Manual v3.0[PDF Download]
Program Capabilities
Installation and Execution
Input Information
Keywords
Units
Input Examples
Program Structure
Error Messages
Total number of Monte Carlo steps in the NVT ensemble. In the NPT ensemble keyword nstep is defined as the number of molecular moves between volumetric changes. Default : (NVT) nstep = 50000 if init = no or nstep = 3000 otherwise. (NPT) nstep = 5.