[AMBER] »Ø¸´£ºRe: Add Molecule symmetry to sander

From: <tanfei777.sina.cn>
Date: Sun, 11 Sep 2016 21:53:00 +0800

Is there any way to enforce symmetry on my molecule then?

Thank You Very Much

I don't think there is any reason to except a homodimer to behave perfectly symmetrically.

On Sep 10, 2016 8:58 PM, <tanfei777.sina.cn> wrote: Hello:

I am currently using Sander to optimise a NMR protein structure, the structure is a homodimer, therefore, I think a a symmetric structure is what I want. I have already doubled my constraints, meaning the input NMR constraints are symmetric, however, the outcome structure is a little different on each monomeric unit, Is there A possible way to add symmetry besides adding symmetric constraints in the structure calculation process, where can I find it ??



Thank You all very much!!





Tan Fei

NMR Centre From PKU

PHD Candidate





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Received on Sun Sep 11 2016 - 07:00:02 PDT
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