fix molecular axis along body diagnol - Constraints

[Sandeep Kumar Reddy]

Dear all,
               I want to study the solvation of a nucleoside in water. I
want to orient the molecular axis of solute along the body diagnol and
constraint it to stay along the body diagnol during the MD run. I tried
without success.

Can somebody help me in this system setup ?

Thanks.

Regards,
Sandeep
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