AMBER Archive (2000)

Subject: gibbs in sodium

From: Mao Xiang (xmao_at_iris.sipp.ac.cn)
Date: Thu May 18 2000 - 21:06:48 CDT


Hello, everyone:
   I run gibbs in the sodium of the test directroy in AMBER6, and
Etotal, Kinetic,Potential,Elect are nan, the other items of the energy
are zero. Would you please tell me where the wrong are. I do nothing to
the files in that directory. Thanks in advance.

Regards,
mao
  ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~
| Xiang Mao |
| Lab of Molecular Regulation for Microbial Secondary Metabolism |
| Shanghai institute of Plant Physiology, Academia Sinica |
| 300 Fenglin Road, Shanghai, China, 200032 |
| Tel: +86-21-64042090-4791 |
| Fax: +86-21-64042385 |
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