openff-interchange documentation

openff.interchange.components.mdconfig.MDP_HEADER

openff.interchange.components.mdconfig.MDP_HEADER = '\nnsteps                   = 0\nnstenergy                = 1000\ncontinuation             = yes\ncutoff-scheme            = verlet\n\nDispCorr                 = Ener\n'

str(object=’’) -> str str(bytes_or_buffer[, encoding[, errors]]) -> str

Create a new string object from the given object. If encoding or errors is specified, then the object must expose a data buffer that will be decoded using the given encoding and error handler. Otherwise, returns the result of object.__str__() (if defined) or repr(object). encoding defaults to sys.getdefaultencoding(). errors defaults to ‘strict’.