±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 372  |  »Ø¸´: 3
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
¡¾Óн±½»Á÷¡¿»ý¼«»Ø¸´±¾Ìû×Ó£¬²ÎÓë½»Á÷£¬¾ÍÓлú»á·ÖµÃ×÷Õß qqfly2003 µÄ 7 ¸ö½ð±Ò £¬»ØÌû¾ÍÁ¢¼´»ñµÃ 2 ¸ö½ð±Ò£¬Ã¿ÈËÓÐ 1 ´Î»ú»á

qqfly2003

Òø³æ (³õÈëÎÄ̳)

[½»Á÷] ¡¾ÇóÖú¡¿dmolÖÐDOS¼ÆËã³öÏÖµÄÎÊÌâ ÒÑÓÐ2È˲ÎÓë

ÓÅ»¯³É¹¦£¬µ«ÔÚ¼ÆËãdosʱ³öÏÖ
Error: nmax inconsistency in denre    11466     6015
Message: DMol3 job failed
Error: DMol3 exiting
¸ÃÈçºÎµ÷Õû   Âé·³¸æÖªÒ»Ï  Ð»Ð»~~
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

arome712

½ð³æ (СÓÐÃûÆø)

¡ï
qqfly2003(½ð±Ò+2):лл²ÎÓë
qqfly2003(½ð±Ò+1): 2010-04-13 19:34
¿´²»¶®£¬ °ïÄ㶥ϣ¬Ï£Íû¸ßÊÖÄÜ¿´µ½
2Â¥2010-04-13 16:35:26
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

qqfly2003

Òø³æ (³õÈëÎÄ̳)

xiaohunhun:gongxi 2010-04-13 23:02
ллÄãµÄÖ§³Ö  ÎÒÒѾ­Í¨¹ýÔö¼Óempty bands Êý½â¾öÁË
3Â¥2010-04-13 19:34:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

arome712

½ð³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by arome712 at 2010-04-13 16:35:26:
¿´²»¶®£¬ °ïÄ㶥ϣ¬Ï£Íû¸ßÊÖÄÜ¿´µ½

¿ÍÆøÁË£¬Ï£ÍûÏ´ÎÄÜÏ໥½»Á÷
4Â¥2010-04-14 10:44:45
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ qqfly2003 µÄÖ÷Ìâ¸üÐÂ
Ìáʾ: Èç¹ûÄúÔÚ30·ÖÖÓÄڻظ´¹ýÆäËûÉ¢½ðÌù£¬Ôò¿ÉÄÜÎÞ·¨ÁìÈ¡´ËÌù½ð±Ò
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 0703µ÷¼Á£¬Ò»Ö¾Ô¸Ìì½ò´óѧ319·Ö +16 haaaabcd 2026-04-05 17/850 2026-04-06 19:25 by ÉÐË®¸óÖ÷
[¿¼ÑÐ] Ò»Ö¾Ô¸°²»Õij211 0703»¯Ñ§×Ü·Ö339Çóµ÷¼Á +7 Íí·ç²»Íí 2026-04-04 7/350 2026-04-06 14:06 by houyaoxu
[¿¼ÑÐ] »ªÄÏÀí¹¤0703»¯Ñ§£¬×Ü·Ö336Çóµ÷¼Á +8 ÊÖ»úÓû§ 2026-04-03 8/400 2026-04-06 11:48 by lijunpoly
[¿¼ÑÐ] 329Çóµ÷¼Á +17 miaodesi 2026-04-02 20/1000 2026-04-05 18:33 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 081200-11408-276ѧ˶Çóµ÷¼Á +4 ´Þwj 2026-04-04 5/250 2026-04-05 14:06 by imissbao
[¿¼ÑÐ] ²ÄÁÏ»¯¹¤306·ÖÕÒºÏÊʵ÷¼Á +14 ²×º£ÇáÖÛe 2026-04-04 14/700 2026-04-05 09:53 by ÖìÔÆ»¢202
[¿¼ÑÐ] Äܶ¯µ÷¼Á326ר˶ +4 wan112233 2026-04-04 4/200 2026-04-04 22:47 by yu221
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +18 Ò»ÑùYWY 2026-04-02 19/950 2026-04-04 22:14 by hemengdong
[¿¼ÑÐ] 277Çóµ÷¼Á +4 12A3 2026-04-02 5/250 2026-04-04 20:28 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Çóµ÷¼Á +6 Ë·Ë·»° 2026-04-02 7/350 2026-04-04 19:16 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 22408Çóµ÷¼Á 354·Ö ¿É¿çרҵ +3 hannnnnnn 2026-04-04 3/150 2026-04-04 14:35 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] 350Ò»Ö¾Ô¸±±¾©º½¿Õº½Ìì´óѧ08500²ÄÁÏ¿ÆÑ§Ó빤³ÌÇóµ÷¼Á +5 kjnasfss 2026-04-03 5/250 2026-04-03 22:29 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 320µ÷¼Á +4 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 4/200 2026-04-03 21:40 by lbsjt
[¿¼ÑÐ] Çóµ÷¼Á +3 ÐÄÏëÊÂ³É¿É 2026-04-03 3/150 2026-04-03 11:22 by wangjy2002
[¿¼ÑÐ] 085600£¬320·ÖÇóµ÷¼Á +6 ´ó²öС×Ó 2026-04-02 6/300 2026-04-02 21:54 by dongzh2009
[¿¼ÑÐ] 324Çóµ÷¼Á +5 ÏëÉÏѧÇóµ÷ 2026-04-01 6/300 2026-04-02 10:16 by sanrepian
[¿¼ÑÐ] 322Çóµ÷¼Á +5 ìäÙÒXX 2026-03-31 6/300 2026-04-02 10:08 by Çóµ÷¼Ázz
[¿¼ÑÐ] 08ÉúÎïÓëҽҩר˶³õÊÔ346ÕÒµ÷¼Á +6 dianeeee 2026-04-01 7/350 2026-04-02 08:23 by guoweigw
[¿¼ÑÐ] 279Çóµ÷¼Á +7 Īxiao 2026-04-01 7/350 2026-04-01 22:05 by ¿Í¶ûÃÀµÂ
[¿¼ÑÐ] 318Çóµ÷¼Á +8 ÆßÒä77 2026-04-01 8/400 2026-04-01 10:37 by Jaylen.
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û