[gmx-users] position restraints for different protein atoms

Irem Altan irem.altan at duke.edu
Sun Feb 21 06:04:35 CET 2016


Hi,

Is there a way to generate position restraint files such that the main chain atoms and the side chain atoms have different force constants? Similarly, would it be possible to constrain atoms with B-factors lower than a certain threshold?

Best,
Irem


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