Polyrate manual

polyrate tunneling
farah al-nakib cal polytruhlar software

12 GAUSSRATE Input Files.dat file: This is the main input file for POLYRATE routines. The keywords in this file are explained in the POLYRATE manual. POLYRATE includes a very large number of options and has multiple capabilities. The user of CHARMMRATE is encouraged to read the POLYRATE manual to learn more Users of this module are encouraged to read the POLYRATE manual since they will need to create the file fu5 input to run calculations with POLYRATE.POLYRATE: A general computer program for variational transition state theory and (The conventional in a 204-page manual that is distributed with the