The version of hpccs I downloaded (9fa226a) has the option in Readme.txt of using CO2 in the config.in file (last number set to 3). When I attempt to run this however I receive the message:
trajectory not started - potential too small.
The .pqr I am testing however was able to run He (1) and N2 (2).
Why is CO2 failing?
The version of hpccs I downloaded (9fa226a) has the option in Readme.txt of using CO2 in the config.in file (last number set to 3). When I attempt to run this however I receive the message:
trajectory not started - potential too small.
The .pqr I am testing however was able to run He (1) and N2 (2).
Why is CO2 failing?