I wanted to ask what exactly is the definition of the parameter "exclude" that one can use in the input file. And if the default is "off", then why should one set it to "scaled1-4" and thus (if I understand the parameter correctly) reduce the interactions?
(If it changes anything, I'm using CHARMM force-field)
Additionally, if I set up the parameters in this way:
exclude scaled1-4
scaled1-4 1.0
does this mean, that the interactions weren't reduced?
Dear support team,
I wanted to ask what exactly is the definition of the parameter "exclude" that one can use in the input file. And if the default is "off", then why should one set it to "scaled1-4" and thus (if I understand the parameter correctly) reduce the interactions? (If it changes anything, I'm using CHARMM force-field)
Additionally, if I set up the parameters in this way:
exclude scaled1-4 scaled1-4 1.0
does this mean, that the interactions weren't reduced?
Thank you in advance!
Veronika