You signed in with another tab or window. Reload to refresh your session.You signed out in another tab or window. Reload to refresh your session.You switched accounts on another tab or window. Reload to refresh your session.Dismiss alert
Gilson pointed out we should be able to test whether the MC is working properly by turning off all thermostatting and running constant energy MD and using the MC to "thermostat" the system (e.g. without velocity randomization after moves). This is probably a good test to set up (a slow test to run locally, most likely) if we can implement it without too much wrangling.
The text was updated successfully, but these errors were encountered:
Gilson pointed out we should be able to test whether the MC is working properly by turning off all thermostatting and running constant energy MD and using the MC to "thermostat" the system (e.g. without velocity randomization after moves). This is probably a good test to set up (a slow test to run locally, most likely) if we can implement it without too much wrangling.
The text was updated successfully, but these errors were encountered: