Amber constant pH out options


cpin <file>
cpin <file> Constant pH input (CPIN) file name.

Note that when reading in constant pH data the data set aspect will be set to the residue name and the index will be set to the residue number. When reading in constant pH REMD data the data is unsorted, and sortensembledata should be used to create sorted constant pH data sets (see the command sortensembledata)