Dear amber users,
I tried to optimize the structure of CH3-SO3H, but it failed,
where H of S-O-H is overlapped on O of S=O.
The files that are needed for energy minimization by sander were
generated by antechamber and leap.
On the other hand, I have succeeded in energy minimization of CH3-SO2H.
I would be happy if anyone tells me whether there is a solution to
the above problem
of energy minimization of molecules including -SO3H group.
Thank you very much in advance.
Takao Kobayashi
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Dr. Takao Kobayashi
Mitsubishi Chemical Group
Science & Technology Research Center, Inc.
1000 Kamoshida-cho, Aoba-ku, Yokohama 227-8502, Japan
e-mail: tkoba.rsi.co.jp
(or kobayashi.takao.ms.m-kagaku.co.jp)
Tel: (+81) 45-963-3834
Fax: (+81) 45-963-3835
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Received on Wed Nov 07 2007 - 06:07:37 PST
