Hello,
I am docking a pep to a receptor with two chain, using FlexPepDock ab initio. Both the chains are number starting with 1
In the flag file, I set -flexPepDocking:receptor_chain A,B
However, it ouput the errors such as
protocols.TrialMover: Acceptance rate: 0.02
core.kinematics.AtomTree: [ ERROR ] No proper DoF can be found for these four atoms: 556-1, 556-2, 556-3, 557-1!
core.kinematics.AtomTree: [ ERROR ] No proper DoF can be found for these four atoms: 556-2, 556-3, 557-1, 557-2!
protocols.TrialMover: Acceptance rate: 0.1
core.kinematics.AtomTree: [ ERROR ] No proper DoF can be found for these four atoms: 556-1, 556-2, 556-3, 557-1!
core.kinematics.AtomTree: [ ERROR ] No proper DoF can be found for these four atoms: 556-2, 556-3, 557-1, 557-2!
temperature = 0.896281
protocols.TrialMover: Acceptance rate: 0.14
How should I fix this?
Thanks!