²é¿´: 3596  |  »Ø¸´: 4

abin007

Òø³æ (³õÈëÎÄ̳)


[½»Á÷] ¡¾ÇóÖú¡¿ÔÚNAMDÔËÐÐÖÐʹÓÃCHARMM¸ñʽµÄÁ¦³¡Îļþ£¬µ«Á¦³¡²ÎÊýÀ´×ÔAMBERÁ¦³¡£¬»á³öÎÊÌâÂ

¸÷룬Çë½ÌÒ»¸öÎÊÌ⣬ÎÒʹÓÃNAMD×ö·Ö×Ó¶¯Á¦Ñ§¼ÆË㣬ϣÍûÄÜʹÓÃAMBERÁ¦³¡£¬µ«ÔÚÉú³ÉAMBERµÄ¹¹ÐͺÍÁ¦³¡Îļþʱ×ÜÊDz»Ë³Àû£¬¶øÎÒÏÖÔÚÓÐÏֳɵÄpsfÎļþ£¬ÎÒÏëÖ±½ÓʹÓÃÀ´×ÔAMBERµÄÁ¦³¡²ÎÊýÈ»ºóдCHARMM¸ñʽµÄÁ¦³¡Îļþ£¬µ±È»ÕâЩ²ÎÊý¸ù¾ÝÁ½¸öÁ¦³¡Ê¹ÓõĹ«Ê½²»Í¬½øÐÐÁËת»¯£¬ÎÒÕâÑù´¦ÀíºÏÀíÂ𣿽ÓÏÂÀ´µÄ¼ÆËã»áÓÐʲôÎÊÌâ£¿Õæ³ÏÇë½Ì
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹ØÉ̼ÒÍÆ¼ö: (ÎÒÒ²ÒªÔÚÕâÀïÍÆ¹ã)

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

» ÇÀ½ð±ÒÀ²£¡»ØÌû¾Í¿ÉÒԵõ½:

²é¿´È«²¿É¢½ðÌù

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

abin007

Òø³æ (³õÈëÎÄ̳)



×Ô¼ºÏÈÀ´×ø¸öɳ·¢£¬ÎÒÉÏÃæ¿ÉÄÜ˵µÃ»¹ÓеãÄ£ºý£¬ÎÒµÄÒâ˼ÊÇÖ±½Ó´ÓAMBERÁ¦³¡Îļþ(Ïñparm99.dat)ÖгéÈ¡¼ü³¤¡¢¼ü½ÇºÍ¶þÃæ½ÇµÄÁ¦²ÎÊý£¬µ±È»ÁË£¬¶ÔÓÚAMBERÁ¦³¡µÄÔ­×ÓÀàÐ͵͍ÒåÎÒÊÇ·ÖÇå³þÁ˵Ä
2Â¥2011-02-22 01:11:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
¡ï ¡ï ¡ï
ghcacj(½ð±Ò+3): лл 2011-02-22 16:02:17
abin007(½ð±Ò+2): 2011-02-22 16:38:09

µ¹ÊÇûÓдóµÄÎÊÌâ, ÓÐЩϸ½ÚÊÇҪעÒâµÄ, ±ÈÈç1-4scaling
namd ÊÇ¿ÉÒÔÖ±½Óµ÷ÓÃamber Á¦³¡µÄ, ·½·¨²Î¿¼
http://www.mdbbs.org/thread-17292-1-1.html
3Â¥2011-02-22 09:00:07
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

wally8962

ľ³æ (ÖøÃûдÊÖ)


¡ï
ghcacj(½ð±Ò+1): лл 2011-02-22 16:02:26
abin007(½ð±Ò+1): 2011-02-22 16:38:31

Ôø¾­ÓÃÕâÖÖ·½Ê½´¦Àí¹ý̼¹Ü¡£
ҪСÐÄ¡£
4Â¥2011-02-22 10:06:25
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

À¼SË®¾§

Òø³æ (СÓÐÃûÆø)


¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÔÂÖ»À¶: ½ð±Ò+1, ¹ÄÀø½»Á÷£¡ 2014-05-30 19:13:08
ÒýÓûØÌû:
3Â¥: Originally posted by bay__gulf at 2011-02-22 09:00:07
µ¹ÊÇûÓдóµÄÎÊÌâ, ÓÐЩϸ½ÚÊÇҪעÒâµÄ, ±ÈÈç1-4scaling
namd ÊÇ¿ÉÒÔÖ±½Óµ÷ÓÃamber Á¦³¡µÄ, ·½·¨²Î¿¼
http://www.mdbbs.org/thread-17292-1-1.html

ÄúºÃ£¬ÓиöÎÊÌâÏëÎÊÄúһϣ¬ÎÒÏÖÔÚÒ²ÕýÔÚ×öamber2charmmµÄת»»£¬±ÈÀý¹ØÏµÊǽ«amberÍøÕ¾ÉϵÄÁ¦³¡°üºÍcharmmÁ¦³¡°üÀïµÄamber2charmm½øÐÐÁ˱Ƚϣ¬·¢ÏÖ±ÈÀý¹ØÏµ¶¼ÊÇ1:1£¬µ«ÊÇÕâÑùת»»¹ýÀ´ºó£¬Éú³ÉµÄ¼ü³¤¼ü½Ç²ÎÊýÓÐЩ²»¶Ô¾¢£¬ÎÒ×¢Òâµ½ÄúÌáµ½ÁË1-4scaling£¬ÊDz»ÊÇÎҵıÈÀý³ö´íÁË£¬ÄÜ·ñ¾ßÌ叿ËßÎÒÒ»ÏÂÊÇÄÄЩµÄ±ÈÀý²»ÊÇÒ»±ÈÒ»ÄØ£¿£¨½Ç£¬¼ü£¬¶þÃæ½Ç£¬·ÇÕý³££©£¿
5Â¥2014-05-20 21:14:12
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ abin007 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »¶Ó­²É¿ó¡¢µØÖÊ¡¢ÑÒÍÁ¡¢¼ÆËã»ú¡¢È˹¤ÖÇÄܵÈרҵµÄͬѧ±¨¿¼ +3 pin8023 2026-02-28 5/250 2026-03-02 00:24 by »¨YOUÖØ¿ªÈÕ
[¿¼ÑÐ] 279Çóµ÷¼Á +3 dua1 2026-03-01 4/200 2026-03-02 00:23 by ´óÁ³µ°×Ó
[¿¼ÑÐ] 284Çóµ÷¼Á +8 ÌìÏÂŸß 2026-02-28 8/400 2026-03-02 00:15 by ĺÓêÐÇÇç
[¿¼ÑÐ] ²ÄÁÏѧ˶318Çóµ÷¼Á +11 February_Feb 2026-03-01 13/650 2026-03-01 23:53 by ccp273206157
[¿¼ÑÐ] Ò»Ö¾Ô¸Ö£´ó²ÄÁÏѧ˶298·Ö£¬Çóµ÷¼Á +5 wsl111 2026-03-01 5/250 2026-03-01 23:45 by ĺÓêÐÇÇç
[¿¼ÑÐ] ²ÄÁÏ»¯¹¤µ÷¼Á +12 ½ñÏIJ»ÏÄ 2026-03-01 13/650 2026-03-01 23:32 by L135790
[¿¼ÑÐ] ½­ËÕʡũ¿ÆÔºÕе÷¼Á1Ãû +3 Qwertyuop 2026-03-01 3/150 2026-03-01 23:18 by aaadim
[¿¼ÑÐ] 265·ÖÇóµ÷¼Á²»µ÷רҵºÍѧУÓÐÐÐѧÉÏ¾Í +6 ÀñÌö¡Õæ258 2026-02-28 8/400 2026-03-01 22:50 by jian_
[˶²©¼ÒÔ°] ²©Ê¿×Ô¼ö +7 ¿ÆÑй·111 2026-02-26 11/550 2026-03-01 22:24 by ÕÜÆ½L
[¿¼ÑÐ] 26¿¼Ñб¨¿¼Î÷¹¤´ó²ÄÁÏ308·ÖÇóµ÷¼Á +3 weizhong123 2026-03-01 3/150 2026-03-01 21:42 by ¹«èªåÐÒ£
[¿¼ÑÐ] 0856Çóµ÷¼Á285 +10 ÂÀ×ÐÁú 2026-02-28 10/500 2026-03-01 21:37 by ¹«èªåÐÒ£
[¿¼ÑÐ] »¯¹¤299·ÖÇóµ÷¼Á Ò»Ö¾Ô¸985Âä°ñ +5 ÎûÎû(*^¦Ø^*) 2026-03-01 5/250 2026-03-01 19:47 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] 291·Ö¹¤¿ÆÇóµ÷¼Á +9 science¶ö¶ö 2026-03-01 10/500 2026-03-01 18:55 by 18137688336
[¿¼ÑÐ] 285Çóµ÷¼Á +8 ÂúÍ·´óº¹µÄѧÉú 2026-02-28 8/400 2026-03-01 16:47 by caszguilin
[¿¼ÑÐ] ¿ÎÌâ×é½ÓÊÕ²ÄÁÏÀàµ÷¼ÁÑо¿Éú +3 gaoxiaoniuma 2026-02-28 4/200 2026-03-01 14:30 by jjjÈý¿ç
[¿¼ÑÐ] 298Çóµ÷¼Á +9 È˼äΨÄãÊÇÇå»¶ 2026-02-28 12/600 2026-03-01 14:23 by Ducount.Y
[¿¼ÑÐ] ѰÕÒµ÷¼Á +4 LYidhsjabdj 2026-02-28 4/200 2026-03-01 10:56 by sunny81
[»ù½ðÉêÇë] ÃæÉÏÄ£°å¸Ä²»ÁËÒ³±ß¾à°É£¿ +5 ieewxg 2026-02-25 6/300 2026-03-01 00:10 by addressing
[¿¼ÑÐ] 304Çóµ÷¼Á +3 52hz~~ 2026-02-28 5/250 2026-03-01 00:00 by 52hz~~
[¿¼ÑÐ] 085600²ÄÁϹ¤³ÌÒ»Ö¾Ô¸Öпƴó×Ü·Ö312Çóµ÷¼Á +8 ³ÔÏüÒ¹1 2026-02-28 10/500 2026-02-28 20:27 by L135790
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û