[gmx-users] Pull Code constant value

[Souparno Adhikary]

Hi all,

I am trying to pull a DNA molecule out of its binding pocket in a protein.
I took Justin Lemkul's tutorial as the guiding script and started with k1
value of 1000. As it seemed, it needed more force to detach the molecule
from its binding partner. Can you tell me how to estimate/calculate this
value or it simply based on the trial-and-error method?

Also, what problems can take place if the value is large (huge, I guess)?

Thanks,

Souparno Adhikary
University of Calcutta.