Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 5558  |  »Ø¸´: 17

jerkwin

ר¼Ò¹ËÎÊ (ÕýʽдÊÖ)

[½»Á÷] GROMACSÖÐÎĽ̷̳­ÒëÕûÀí ÒÑÓÐ15È˲ÎÓë

·­ÒëÕûÀíÁËÍøÉÏÒÑÓеÄһЩGROAMCS½Ì³Ì, ĿǰÒѾ­Íê³ÉÁËÏÂÃæÁ½¸ö

©¶·ÍøÖ©Öë¶¾ËØëĵÄÈܼÁ»¯Ñо¿: Amber99SB-ILDNÁ¦³¡(»ùÓÚGROMACS 4.6°æ±¾)

Ë®ÖеÄÈܾúø(»ùÓÚGROMACS 5.0°æ±¾

ÓÐÐèÒªµÄÇëµ½http://jerkwin.github.io/9999/10 ... %E6%95%99%E7%A8%8B/²é¿´
»Ø¸´´ËÂ¥

» ÊÕ¼±¾ÌûµÄÌÔÌûר¼­ÍƼö

gromacs

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

ºÃºÃѧϰ444

Òø³æ (СÓÐÃûÆø)

˵ºÃŬÁ¦µÄ
2Â¥2015-06-04 13:23:05
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ºÃºÃѧϰ444

Òø³æ (СÓÐÃûÆø)

Ëͺ컨һ¶ä
ÀÖÓÚ·ÖÏíµÄÈË
˵ºÃŬÁ¦µÄ
3Â¥2015-06-04 13:23:34
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

gnefux

½ð³æ (ÕýʽдÊÖ)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ѧϰÁË£¬ÍøÒ³ÉÏĿ¼ÄÇÀ¸Ì«´ó£¬Â¥Ö÷¸ÄСµãºÃÂð
4Â¥2015-06-05 14:18:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

992648352

Òø³æ (СÓÐÃûÆø)

Ëͺ컨һ¶ä
ѧϰ½»Á÷£¡
5Â¥2015-06-05 20:38:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

jerkwin

ר¼Ò¹ËÎÊ (ÕýʽдÊÖ)

ÒýÓûØÌû:
4Â¥: Originally posted by gnefux at 2015-06-05 14:18:07
ѧϰÁË£¬ÍøÒ³ÉÏĿ¼ÄÇÀ¸Ì«´ó£¬Â¥Ö÷¸ÄСµãºÃÂð

ÄǸöĿ¼? ʲôĿ¼?
6Â¥2015-06-05 20:38:22
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

biancheng159

Í­³æ (ÕýʽдÊÖ)

ÔÞ£¬ºÜÕûÆë£¬²»´í£¡
so,hu r u?
7Â¥2015-06-06 13:13:30
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

hongyexi

ľ³æ (ÕýʽдÊÖ)

ͦºÃµÄ£¬ÕýÔÚѧϰ
8Â¥2015-06-09 11:31:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ZXYXXX

гæ (³õÈëÎÄ̳)

Ì«¸ÐлÁË¡£
9Â¥2015-08-26 10:41:24
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

7152075

Ìú¸Ëľ³æ (ÖøÃûдÊÖ)

½â¾öÎÊÌâµÄ·½·¨±ÈÓöµ½µÄÎÊÌâ¶à

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÔÞÒ»¸ö£¬Ð´µÄ·Ç³£ºÃ£¬LZÐÁ¿à
Chemistry
10Â¥2015-10-08 08:57:50
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ jerkwin µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 338Çóµ÷¼Á +6 wxygxsaaaaa 2026-04-06 6/300 2026-04-08 01:14 by BruceLiu320
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϿƴóÉúÎïѧ297·Ö£¬Çóµ÷¼ÁÍÆ¼ö +8 Y-yyusx 2026-04-06 9/450 2026-04-07 19:38 by biomichael
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄϾ©º½¿Õº½Ìì´óѧ ²ÄÁÏÓ뻯¹¤329·ÖÇóµ÷¼Á +9 Mr. Z 2026-04-05 9/450 2026-04-07 15:30 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] 328Çóµ÷¼Á +4 ghhh88888 2026-04-06 5/250 2026-04-07 14:45 by ghhh88888
[¿¼ÑÐ] 286Çóµ÷¼Á +20 Faune 2026-04-06 20/1000 2026-04-07 11:33 by Ê«Óë×ÔÓÉ
[¿¼ÑÐ] ÐŹ¤Ëù11408 340·Ö ±¾¿ÆÎ÷°²½»´ó×Ô¶¯»¯ +3 moontrek 2026-04-06 3/150 2026-04-07 09:56 by chongya
[¿¼ÑÐ] 0703»¯Ñ§ +9 goldtt 2026-04-02 11/550 2026-04-06 10:35 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 301Çóµ÷¼Á +6 ϸ°ûÏà¹Øµ°°× 2026-04-02 10/500 2026-04-06 08:34 by jp9609
[¿¼ÑÐ] 283Çóµ÷¼Á +5 baiiyu 2026-04-05 6/300 2026-04-05 20:35 by à£à£à£0119
[¿¼ÑÐ] ²ÄÁÏ0856 Ó¢Ò»Êý¶þ 323 Çóµ÷¼Á +14 Ô¬sy 2026-04-01 14/700 2026-04-05 18:18 by cql1109
[¿¼ÑÐ] 275Çóµ÷¼Á +16 waltzh 2026-04-01 16/800 2026-04-05 17:14 by Hdyxbekcb
[¿¼ÑÐ] 295Çóµ÷¼Á +4 AÄãºÃÑо¿Éú 2026-04-04 5/250 2026-04-04 22:46 by yu221
[¿¼ÑÐ] 319Çóµ÷¼Á +4 ÐÇÐDz»Õ£ÑÛà¶ 2026-04-03 4/200 2026-04-04 16:25 by ÖзÉÔº¿Õ¹ÜѧԺÑ
[¿¼ÑÐ] Çóµ÷¼Á +8 akdhjs 2026-04-03 8/400 2026-04-03 18:17 by ´÷άING
[¿¼ÑÐ] 315Çóµ÷¼Á +6 ˳Àí³ÉÕÅ 2026-04-03 8/400 2026-04-03 14:04 by °ÙÁéͯ888
[¿¼ÑÐ] 321Çóµ÷¼Á +17 y-yh 2026-04-01 20/1000 2026-04-03 12:57 by y-yh
[¿¼ÑÐ] Çóµ÷¼Á 302·Ö³õÊÔ 0854 +5 Áæ¿ÉÀÖ 2026-04-02 5/250 2026-04-02 17:53 by ±ÊÂä½õÖÝ
[¿¼ÑÐ] Ò»Ö¾Ô¸±±½»´ó²ÄÁϹ¤³Ì£¬×Ü·Ö358 +4 cs0106 2026-04-01 4/200 2026-04-02 07:42 by ÉÐË®¸óÖ÷
[¿¼ÑÐ] °²È«¹¤³Ì 285 Çóµ÷¼Á +3 Xinyu56 2026-04-01 4/200 2026-04-01 21:50 by ¾²¾²¾²¾²¾²¾²¾²¾
[¿¼ÑÐ] 322Çóµ÷¼Á +8 ÈýË®sss 2026-04-01 8/400 2026-04-01 10:19 by ÌÆãå¶ù
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û