| 查看: 1601 | 回复: 10 | |||
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» 猜你喜欢
北京211副教授，35岁，想重新出发，去国外做博后，怎么样？
已经有5人回复
-
论文终于录用啦！满足毕业条件了
已经有25人回复
-
2026年机械制造与材料应用国际会议 （ICMMMA 2026）
已经有3人回复
-
自荐读博
已经有3人回复
-
求助:我三月中下旬出站，青基依托单位怎么办？
已经有5人回复
-
不自信的我
已经有5人回复
-
磺酰氟产物，毕不了业了！
已经有4人回复
-
投稿Elsevier的杂志（返修），总是在选择OA和subscription界面被踢皮球
已经有8人回复
» 本主题相关商家推荐: (我也要在这里推广)
lusandanooo
银虫 (小有名气)
2楼2016-11-11 23:36:46
lusandanooo
银虫 (小有名气)
 |
3楼2016-11-14 09:56:17
lusandanooo
银虫 (小有名气)
 |
4楼2016-11-14 14:46:32
lusandanooo
银虫 (小有名气)
 |
5楼2016-11-14 17:04:34
lusandanooo
银虫 (小有名气)
 |
6楼2016-11-15 08:55:09
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
8楼2017-07-22 14:25:45
9楼2017-07-22 14:27:01
你好哈-
木虫 (小有名气)
- 应助: 0 (幼儿园)
- 金币: 2649.9
- 散金: 13
- 红花: 3
- 帖子: 127
- 在线: 78.9小时
- 虫号: 3023909
- 注册: 2014-03-06
- 性别: MM
- 专业: 药物设计与药物信息
10楼2017-10-25 21:20:16