GROMACS version: 2019.3
GROMACS modification: No
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Hi, I simply want to know if it’s reasonable to use different values of force constant (pull-coord1-k) for some of the windows (with specific reaction coordinates) in an umbrella sampling simulation.
The reason is my groups attract each other with very high forces so I need to use higher K when two groups are close to each other. But I’m not sure if causes inaccuracy in following WHAM calculations.