Amber List members,
I'm new to Amber handling and I'm trying to solve a problem:
I have been running production MD simulation of enzyme with a ligand by Amber14 with ff14sb force field in periodic water box, but amidic bond or peptide bond (CO-NH) of the ligand rotates during the dynamics
I would like to know what restrictions should be placed to avoid this rotation or where to look for such specifications, because in the user's manual they are not very clear.
I would appreciate your help.
Thank you,
Lucrecia
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Received on Thu Jul 12 2018 - 15:30:02 PDT
