Dear AMBER users,
I am trying to simulate a 22 mer RNA duplex in an implicit solvent. After
few 100 picoseconds, SHAKE gets unstable and is unable to restrain the
structure. The message displayed on screen suggests this may due to some
deeper energitics problem. Can someone suggest where should I look for the
problem.
Thank You
Regards,
Abhijeet Chowdhury
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Received on Thu Sep 22 2016 - 09:00:02 PDT
