AMBER Archive (2000)

Subject: Hello

From: Mao Xiang (xmao_at_iris.sipp.ac.cn)
Date: Wed May 17 2000 - 03:13:42 CDT

Hello, everyone:
    I have compiled the amber6 in origin2000,and the machine file is
machine.sgi. I have also compiled amber6 in a O2 from SGI. When I run MD
with sander_classic, the two versions gave different result. The
origin2000 version says Npairs =27769945 Exceeds Max= 9000000, but the
O2 version did not have any error, except the md0.crd file contains
nothing. I wonder if you have met this strange problem. Hope to hear
from you. Thanks.

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 |
  ~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~~