±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 907  |  »Ø¸´: 0

stevenkkk

ľ³æ (СÓÐÃûÆø)

[ÇóÖú] GaussianÓëGromacsÁªÓÃ

ÇóÖú£º

ÓеãС·Ö×ÓÐèÒªÓÃGaussianË㣬ÓÃpop=mkµÃ³öRESPµçºÉºó£¬×ªÎªGromacsÅܶ¯Á¦Ñ§¡£Õâ¸öС·Ö×Ó²»ÊDzлù£¬Ò²²»ÊÇСÅäÌ壬ËüÊǼòµ¥µÄÒ»¸öÓлúС·Ö×Ó£¬ÓÃGromacsÀ´Ñо¿Õâ¸öС·Ö×ӵ͝Á¦Ñ§£¬±ÈÈçËüÓëË®µÄÏ໥×÷Ó᣸ÃÔõôʵÏÖÄØ£¿

ÎÒÔÚGaussian¼ÆËãµÃµ½Ð¡·Ö×ÓµÄlogÎļþ£¬ÓÃʲô·½·¨»òÈí¼þ£¬Ö±½ÓÉú²úGromacsµÄÆðʼÎļþ£¬À´½øÐж¯Á¦Ñ§Ä£Äâ¡£ ÎҼƻ®ÓÃOPLS-AA/L£¬ÅÜÓëË®Ï໥×÷Óõ͝Á¦Ñ§£¬¸Ã·Ö×Ó¿ÉÒÔ¼ÓÈȵ½100¶à¶ÈҲûÎÊÌâ¡£
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

gromacs

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

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

ÖÇÄÜ»úÆ÷ÈË

Robot (super robot)

ÎÒÃǶ¼°®Ð¡Ä¾³æ

ÕÒµ½Ò»Ð©Ïà¹ØµÄ¾«»ªÌû×Ó£¬Ï£ÍûÓÐÓÃŶ~

¿ÆÑдÓСľ³æ¿ªÊ¼£¬ÈËÈËΪÎÒ£¬ÎÒΪÈËÈË
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ stevenkkk µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 332Çóµ÷¼Á +16 ССÃÏ... 2026-04-05 17/850 2026-04-06 00:52 by fmesaito
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£© +8 ÏàÐűػá¹ââÍòÕ 2026-04-05 10/500 2026-04-05 12:19 by Hdyxbekcb
[¿¼ÑÐ] 295Çóµ÷¼Á +10 xndjjj 2026-04-04 10/500 2026-04-05 11:19 by Öí»á·É
[¿¼ÑÐ] ²ÄÁÏ»¯¹¤306·ÖÕÒºÏÊʵ÷¼Á +14 ²×º£ÇáÖÛe 2026-04-04 14/700 2026-04-05 09:53 by ÖìÔÆ»¢202
[¿¼ÑÐ] 070300»¯Ñ§Ñ§Ë¶311·ÖÇóµ÷¼Á +10 Áº¸»¹óÏÕÖÐÇó 2026-04-04 12/600 2026-04-05 09:37 by guoweigw
[¿¼ÑÐ] µ÷¼Á +8 ÐܶþÏëÉϰ¶ 2026-04-04 8/400 2026-04-05 05:27 by houyaoxu
[¿¼ÑÐ] 311·Ö 22408 Çóµ÷¼Á +3 bing_bot 2026-04-03 3/150 2026-04-05 00:43 by chongya
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£´ó0705Çóµ÷¼Á +3 éÙʮһ 2026-04-02 4/200 2026-04-05 00:05 by chongya
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +18 Ò»ÑùYWY 2026-04-02 19/950 2026-04-04 22:14 by hemengdong
[¿¼ÑÐ] 085601£¬Ò»Ö¾Ô¸Ïôó334¸´ÊÔ±»Ë¢Çóµ÷¼Á +13 ÔøÑöÖ® 2026-04-03 15/750 2026-04-04 20:13 by dongzh2009
[¿¼ÑÐ] ¿¼Ñе÷¼Á +3 15615482637 2026-04-03 3/150 2026-04-03 22:50 by ms629
[¿¼ÑÐ] Çóµ÷¼Á²»Ìôרҵ +3 xrh030412 2026-04-01 3/150 2026-04-03 14:40 by µªÆøÆøÆø
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +4 Ò»ÑùYWY 2026-04-03 4/200 2026-04-03 09:48 by À¶ÔÆË¼Óê
[¿¼ÑÐ] һ־Ըɽ¶«´óѧ»¯Ñ§Ó뻯¹¤Ñ§Ôº²ÄÁÏÓ뻯¹¤×¨Ë¶£¬360·ÖÇóµ÷¼Á +4 ²»Ô¸Í¸Â¶ÐÕÃûµÄË 2026-04-02 4/200 2026-04-03 09:29 by ÒÅÍüÏûʧµÄž™
[¿¼ÑÐ] 312Çóµ÷¼Á +6 ССī123 2026-04-02 7/350 2026-04-03 07:32 by jsw79
[¿¼ÑÐ] ²ÄÁÏÇóµ÷¼Á +10 ÄØÄØÄÝÄÝ 2026-04-01 13/650 2026-04-02 09:17 by olim
[¿¼ÑÐ] 379Çóµ÷¼Á +3 ?¿à¹Ï²»¿à 2026-04-01 3/150 2026-04-01 20:09 by ÄºÔÆÇ庮
[¿¼ÑÐ] 318Çóµ÷¼Á +8 ÆßÒä77 2026-04-01 8/400 2026-04-01 10:37 by Jaylen.
[¿¼ÑÐ] 0710ÉúÎïѧÇóµ÷¼Á£¡ +6 ÐðÊöÎÄ 2026-03-31 6/300 2026-04-01 09:39 by JourneyLucky
[¿¼ÑÐ] 335Çóµ÷¼Á +3 321* 2026-03-31 4/200 2026-04-01 00:00 by 321*
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û