| ²é¿´: 1282 | »Ø¸´: 5 | ||
qiaobo½ð³æ (СÓÐÃûÆø)
|
[ÇóÖú]
discover Ä£¿é²»ÄÜÓÅ»¯
|
|
ÎÒ½¨Á¢º¬ÓнðÊôÑõ»¯ÎïºÍ¾ÛºÏÎïµÄ¸ñ×Ó£¬ÏëÓÃdiscover ÓÅ»¯£¬×ÜÊDZ¨´í¡£¾ßÌåÈçÏ£ºFailed to add energy server contribution to the Job. Failed to prepare structure for a forcefield based calculation. The charging engine has failed to calculate a charge for 216 atoms. There are 216 atoms which have not been typed. ÕâÊÇÎªÊ²Ã´ÄØ£¿¸ÃÈçºÎ½â¾ö£¿ |
» ²ÂÄãϲ»¶
323Çóµ÷¼Á
ÒѾÓÐ6È˻ظ´
Ò»Ö¾Ô¸±±¾©»¯¹¤´óѧ 070300 ѧ˶ 336·Ö Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
352Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
Ò»Ö¾Ô¸¶«»ª´óѧ»¯Ñ§070300£¬Çóµ÷¼Á
ÒѾÓÐ8È˻ظ´
277²ÄÁÏ¿ÆÑ§Ó빤³Ì080500Çóµ÷¼Á
ÒѾÓÐ7È˻ظ´
317Çóµ÷¼Á
ÒѾÓÐ18È˻ظ´
293Çóµ÷¼Á
ÒѾÓÐ5È˻ظ´
280·ÖÇóµ÷¼Á Ò»Ö¾Ô¸085802
ÒѾÓÐ7È˻ظ´
0854µç×ÓÐÅÏ¢Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
263Çóµ÷¼Á
ÒѾÓÐ4È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
Óù½£½ºþ
ÈÙÓþ°æÖ÷ (ÖøÃûдÊÖ)
Ìì³ØÒ±º£
- Ä£ÄâEPI: 15
- Ó¦Öú: 7 (Ó×¶ùÔ°)
- ¹ó±ö: 6.831
- ½ð±Ò: 9082.9
- É¢½ð: 8688
- ºì»¨: 129
- ɳ·¢: 4
- Ìû×Ó: 2917
- ÔÚÏß: 1251.7Сʱ
- ³æºÅ: 1229656
- ×¢²á: 2011-03-11
- רҵ: µç»úÓëµçÆ÷
- ¹ÜϽ: µÚÒ»ÐÔÔÀí

2Â¥2011-07-06 18:18:02
qiaobo
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 206.2
- É¢½ð: 84
- ºì»¨: 4
- Ìû×Ó: 211
- ÔÚÏß: 170.3Сʱ
- ³æºÅ: 169077
- ×¢²á: 2006-01-16
- ÐÔ±ð: MM
- רҵ: ¸ßµçѹÓë¾øÔµ
3Â¥2011-07-07 09:07:13
zyj8119
ľ³æ (ÖøÃûдÊÖ)
- Ä£ÄâEPI: 10
- Ó¦Öú: 65 (³õÖÐÉú)
- ¹ó±ö: 0.003
- ½ð±Ò: 915.1
- É¢½ð: 1440
- ºì»¨: 35
- Ìû×Ó: 2936
- ÔÚÏß: 1329.4Сʱ
- ³æºÅ: 664177
- ×¢²á: 2008-11-29
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï
Óù½£½ºþ(½ð±Ò+1): лл 2011-07-07 15:46:37
Óù½£½ºþ(½ð±Ò+1): лл 2011-07-07 15:46:37
|
»»Á¦³¡£¬»òÕß×Ô¼ºÊÖ¶¯¸³ÓèÁ¦³¡¡£¡£¡£ |

4Â¥2011-07-07 09:52:48
qiaobo
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 206.2
- É¢½ð: 84
- ºì»¨: 4
- Ìû×Ó: 211
- ÔÚÏß: 170.3Сʱ
- ³æºÅ: 169077
- ×¢²á: 2006-01-16
- ÐÔ±ð: MM
- רҵ: ¸ßµçѹÓë¾øÔµ
5Â¥2011-07-08 09:00:03
fyy0210
гæ (³õÈëÎÄ̳)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 216.8
- Ìû×Ó: 40
- ÔÚÏß: 33.1Сʱ
- ³æºÅ: 359668
- ×¢²á: 2007-04-29
- רҵ: ¸ß·Ö×Ӻϳɻ¯Ñ§
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï ¡ï ¡ï ¡ï
zh1987hs(½ð±Ò+2): лл 2011-07-21 07:30:36
Óù½£½ºþ(½ð±Ò+2): лл 2011-07-21 14:08:26
qiaobo(½ð±Ò+13): ˵µÄ¶Ô£¬ÒѾ¸ÄÕý£¬Ð»Ð»ÁË 2011-08-31 08:33:00
zh1987hs(½ð±Ò+2): лл 2011-07-21 07:30:36
Óù½£½ºþ(½ð±Ò+2): лл 2011-07-21 14:08:26
qiaobo(½ð±Ò+13): ˵µÄ¶Ô£¬ÒѾ¸ÄÕý£¬Ð»Ð»ÁË 2011-08-31 08:33:00
|
2£® ÓÅ»¯±íÃæ ÒªÓÅ»¯±íÃæ£¬ ÐèҪʹÓ÷Ö×ÓÁ¦Ñ§½«ÆäÄÜÁ¿×îС»¯¡£ ¾¡¹Ü±íÃæÊÇÀë×ÓÐ͵ģ¬ µ«ÊÇ COMPASS Á¦³¡ÔÚ¶ÔÄ£ÐÍ·ÖÅäÁ¦³¡(typing)µÄʱºòÐèÒª Al Ô×ÓºÍ OÔ×ÓÖ®¼äÓмü´æÔÚ¡£È»¶ø£¬Òª¶Ô Ìåϵ½øÐÐÕýÈ·¼ÆË㣬ÐèÒªÔÚ·ÖÅäºÃÁ¦³¡ºó½« Al-O ¼üɾ³ý¡£ ÕâÊÇÔÚÅàѵ½Ì³ÌÉÏ¿´µ½µÄ£¡ |
6Â¥2011-07-20 23:17:27













»Ø¸´´ËÂ¥