| 查看: 968 | 回复: 1 | |||
| 当前主题已经存档。 | |||
[交流]
求助:ms用amorphous cell算的时候出现错误是什么意思
|
|||
|
用amorphous cell算的时候出现错误.请教各位高手. 如下: Time Module Type Message Text 2008/01/04@15:40:04 Diagnostics INFO Log file created 2008/01/04@15:41:31 Discover INFO Automatically preparing Polypi for forcefield based calculations using "compass". 2008/01/04@15:41:31 Discover INFO Validating the forcefield types 2008/01/04@15:41:31 Discover INFO Successfully validated all forcefield types. 2008/01/04@15:41:31 Discover INFO Finished automatic Preparing "Polypi" for forcefield based calculations. 2008/01/04@15:41:37 [DF1EJ] - Polypi AC Constr ERROR AmorphousCellConstruct has finished with no arc file 2008/01/04@15:42:02 Discover INFO Automatically preparing Polyp-nitostyrene for forcefield based calculations using "compass". 2008/01/04@15:42:02 Discover INFO Validating the forcefield types 2008/01/04@15:42:02 Discover INFO Successfully validated all forcefield types. 2008/01/04@15:42:02 Discover INFO Finished automatic Preparing "Polyp-nitostyrene" for forcefield based calculations. 2008/01/04@15:42:02 Car/Mdf Export WARN Charge Group information in the data model is incomplete or ambiguous, and incompatible with the mdf structure. 2008/01/04@15:43:36 [DF5FE] - Polyp-nitostyrene AC Constr ERROR Ring catenations check: catenation detected in frame 1 2008/01/04@15:43:36 [DF5FE] - Polyp-nitostyrene AC Constr ERROR WARNING: All frames contained in the arc file contain catenated and/or speared rings 2008/01/04@15:43:36 [DF5FE] - Polyp-nitostyrene AC Constr ERROR Catenated and/or speared rings detected 2008/01/04@15:44:43 Discover INFO Automatically preparing Polypi for forcefield based calculations using "compass". 2008/01/04@15:44:43 Discover INFO Validating the forcefield types 2008/01/04@15:44:43 Discover INFO Successfully validated all forcefield types. 2008/01/04@15:44:43 Discover INFO Finished automatic Preparing "Polypi" for forcefield based calculations. 2008/01/04@15:47:15 Discover INFO Automatically preparing Polypi for forcefield based calculations using "compass". 2008/01/04@15:47:16 Discover INFO Validating the forcefield types 2008/01/04@15:47:16 Discover INFO Successfully validated all forcefield types. 2008/01/04@15:47:16 Discover INFO Finished automatic Preparing "Polypi" for forcefield based calculations. 2008/01/04@15:50:55 Discover INFO Automatically preparing RandomRU1 for forcefield based calculations using "compass". 2008/01/04@15:50:55 Discover INFO Validating the forcefield types 2008/01/04@15:50:55 Discover INFO Successfully validated all forcefield types. 2008/01/04@15:50:55 Discover INFO Finished automatic Preparing "RandomRU1" for forcefield based calculations. 2008/01/04@15:50:58 [DF4U7] - RandomRU1 AC Constr ERROR AmorphousCellConstruct has finished with no arc file 2008/01/04@15:51:00 [DF4U7] - RandomRU1 AC Constr ERROR Failed to Import file: RandomRU1.xtd. One or more arguments are invalid 2008/01/04@15:51:00 [DF4U7] - RandomRU1 AC Constr ERROR Files not removed from server due to previous errors. 2008/01/04@15:51:00 [DF4U7] - RandomRU1 AC Constr WARN As instructed, files have been left on remote server, these may need to be manually archived. [ Last edited by zzgyb on 2008-1-4 at 16:10 ] |
回复此楼» 猜你喜欢
真诚求助：手里的省社科项目结项要求主持人一篇中文核心，有什么渠道能发核心吗
已经有8人回复
-
寻求一种能扛住强氧化性腐蚀性的容器密封件
已经有5人回复
-
论文投稿，期刊推荐
已经有6人回复
-
请问哪里可以有青B申请的本子可以借鉴一下。
已经有4人回复
-
孩子确诊有中度注意力缺陷
已经有14人回复
-
请问下大家为什么这个铃木偶联几乎不反应呢
已经有5人回复
-
请问有评职称，把科研教学业绩算分排序的高校吗
已经有5人回复
-
2025冷门绝学什么时候出结果
已经有3人回复
-
天津工业大学郑柳春团队欢迎化学化工、高分子化学或有机合成方向的博士生和硕士生加入
已经有4人回复
-
康复大学泰山学者周祺惠团队招收博士研究生
已经有6人回复
2楼2008-01-06 14:50:52