[AMBER] Add Molecule symmetry to sander

From: <tanfei777.sina.cn>
Date: Sun, 11 Sep 2016 08:58:28 +0800

 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 Sat Sep 10 2016 - 18:00:02 PDT
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