| 查看: 1648 | 回复: 10 | ||
| 当前只显示满足指定条件的回帖，点击这里查看本话题的所有回帖 | ||
lusandanooo银虫 (小有名气)
|
[求助]
NAMD报错，请大神帮我看一下为什么？
|
|
|
运行NAMD做分子动力学模拟出现如下错误： TCL: Running for 2500000 steps ERROR: Constraint failure in RATTLE algorithm for atom 2684! ERROR: Constraint failure; simulation has become unstable. ERROR: Constraint failure in RATTLE algorithm for atom 2370! ERROR: Constraint failure; simulation has become unstable. ERROR: Constraint failure in RATTLE algorithm for atom 2244! ERROR: Constraint failure; simulation has become unstable. ERROR: Constraint failure in RATTLE algorithm for atom 1362! ERROR: Constraint failure; simulation has become unstable. ERROR: Constraint failure in RATTLE algorithm for atom 146! ERROR: Constraint failure; simulation has become unstable. ERROR: Constraint failure in RATTLE algorithm for atom 1246! ERROR: Constraint failure; simulation has become unstable. ERROR: Constraint failure in RATTLE algorithm for atom 625! ERROR: Constraint failure; simulation has become unstable. ERROR: Constraint failure in RATTLE algorithm for atom 1761! ERROR: Constraint failure; simulation has become unstable. ERROR: Constraint failure in RATTLE algorithm for atom 1796! ERROR: Constraint failure; simulation has become unstable. ERROR: Constraint failure in RATTLE algorithm for atom 68! ERROR: Constraint failure; simulation has become unstable. ERROR: Constraint failure in RATTLE algorithm for atom 739! ERROR: Constraint failure; simulation has become unstable. ERROR: Exiting prematurely; see error messages above. |
回复此楼
lusandanooo
银虫 (小有名气)
- 应助: 12 (小学生)
- 金币: 132.1
- 散金: 3
- 红花: 5
- 帖子: 260
- 在线: 96.2小时
- 虫号: 4149251
- 注册: 2015-10-16
- 性别: GG
- 专业: 林产化学
7楼2016-11-15 12:08:20
lusandanooo
银虫 (小有名气)
2楼2016-11-11 23:36:46
8楼2017-07-22 14:25:45
9楼2017-07-22 14:27:01