I'm interested in doing a bunch of runs with slightly different restraint forces, I have certain queries regarding this:
1) how can I set a force constant and change it according to my need by making changes only in the .MDP file of equilibration?
2) do I have to do this manually all the time by changing the .itp file and replacing all the 1000 (by default) to say 100 etc?
3) if I apply positional restraints by not changing the. Itp but getting my restraints #included in. Topology file, why can't I see the positional restraints as 1000 getting applied in .log file of equilibration?
Thanx sir but I supp my question is not clearly stated. I know how to define restraints but can't find where the force that must be applied on that particular restraint should be given. Since I want to gradually reduce the force on that particular restraint
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