007你好, 我不知道什么是"MD simulation"

送交者: 008 于 2009-01-06, 19:23:06:

回答: Have you ever done a MD simulation? 由 james_hussein_bond 于 2009-01-06, 19:14:48:

引用：

混沌理论里，好象没有什么过程是可逆的。

不要把不会算的过程和不可逆的过程混起来了. 可逆不可逆, 是由基本原理决定的, 和会不会算没关系. 据我所知有两种不可逆的过程, 一是相互作用本身是不可逆的, 比如CP破坏的弱作用; 另一种一种是和熵增相联系的不可逆过程, 这包括所有从不平衡到平衡的过程. 第二种不可逆从局部来看并非不可逆的, 只要把熵抽走就行了. 从这个意义上化学反应全都是可逆的.

所有跟贴:

MD=molecular dynamics - james_hussein_bond (75 bytes) 2009-01-06, 19:31:04 (291025)
- 你这么看就明白了 - 008 (469 bytes) 2009-01-06, 19:44:34 (291035)
  - So you really haven't done a MD simulation. - james_hussein_bond (829 bytes) 2009-01-06, 19:54:48 (291042)
    - What do you mean by "then reverse the simulation"? - wasguru (864 bytes) 2009-01-06, 21:20:47 (291082)
      - 行家一出手，便知有没有 (无内容) - ziren (0 bytes) 2009-01-06, 21:39:02 (291095)
      - See this article - james_hussein_bond (626 bytes) 2009-01-06, 21:38:48 (291094)
        
        看到这句话了吗？ - wasguru (150 bytes) 2009-01-06, 21:47:31 (291096)
        
        Unfortunately, the page talking about bit-MD is not visible - wasguru (244 bytes) 2009-01-08, 12:02:54 (291714)
        
        Here is a book on google that has preview pages - james_hussein_bond (582 bytes) 2009-01-08, 06:58:11 (291677)
        
        I don't have access to full text (无内容) - wasguru (0 bytes) 2009-01-07, 21:34:36 (291592)
        
        If you simply used lattice MD, then that's true. - james_hussein_bond (226 bytes) 2009-01-07, 21:05:13 (291574)
        
        Confining particles on lattice grids simply means rounding coordinates off. - wasguru (86 bytes) 2009-01-07, 20:36:24 (291560)
        
        In the old days there used to be a method called lattice MD - james_hussein_bond (132 bytes) 2009-01-07, 20:29:28 (291558)
        
        Discretization of what? time, or coordinates? - wasguru (72 bytes) 2009-01-07, 16:25:33 (291500)
        
        According to them - james_hussein_bond (254 bytes) 2009-01-07, 16:10:21 (291489)
        
        All right. Yes, for LJ(6,12), you don't have to. - wasguru (741 bytes) 2009-01-07, 15:42:40 (291471)
        
        You never have to calculate square root if you use Leonard-Jones potential (无内容) - james_hussein_bond (0 bytes) 2009-01-07, 15:24:20 (291451)
        
        The problem is, bit-reversible does not mean the simulation is exact - wasguru (639 bytes) 2009-01-07, 14:50:17 (291417)
        
        Maybe not for you but evidently a lot of people (wink 008) - james_hussein_bond (130 bytes) 2009-01-07, 14:37:02 (291401)
        
        这样的point，还用的着他去费力气验证？ - wasguru (64 bytes) 2009-01-07, 12:54:46 (291308)
        
        That's the point (无内容) - james_hussein_bond (0 bytes) 2009-01-07, 05:40:17 (291168)
      - 你潜水的时间也太长久了. (无内容) - 鹏归 (0 bytes) 2009-01-06, 21:31:53 (291090)
    - MD simulation是什么东西我都不知道 (无内容) - 008 (0 bytes) 2009-01-06, 21:11:56 (291076)

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