aMD doesn't work when some atoms are fixed

From: sunyeping (
Date: Mon Jul 18 2016 - 20:41:34 CDT

Dear all,
In the aMD I observed a local conformation transition in a protein complex. To be specific, a short peptide partly dissociated from the long protein chain that it originally binds to.  But If I I fix the CA atoms of the protein expect the short peptide and do the aMD, the part association of the peptide doesn't appear even high boost energy is added. So does the atom fixation conflict with aMD?
Best regards.
Yeping Sun 

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