²é¿´: 2120  |  »Ø¸´: 7
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

ºìÑÕ²»ÃÀ

½ð³æ (ÕýʽдÊÖ)

[½»Á÷] NAMDËùÓõÄCHARMMÁ¦³¡²ÎÊý³ýÁË22 27 »¹ÓбðµÄÂ𣿠ÒÑÓÐ3È˲ÎÓë

NAMDËùÓõÄCHARMMÁ¦³¡²ÎÊý³ýÁ˹ØÓÚµ°°×ÖÊ¡¢Ö¬ÀàµÄ22 27 »¹ÓбðµÄÂð£¿
ÓÐûÓгöеIJÎÊýÎļþ£¿È¥ÄĶùÕÒ£¿
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

¼ÆËãÄ£Äâbiubiu
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

Ë®ÔÂÁýɳ

Òø³æ (СÓÐÃûÆø)

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
5Â¥: Originally posted by ºìÑÕ²»ÃÀ at 2014-08-21 10:00:25
Õâ¸öÎÒϹýÁË »¹ÊÇллÄúÁË...

Â¥Ö÷£¬ÕÒµ½ÁËô£¿ÎÒÏÖÔÚÒ²ÐèÒªÏÂÔØ£¬¿ÉÊÇÕÒ²»µ½ÔÚÄĶù
6Â¥2014-12-24 19:54:06
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 8 ¸ö»Ø´ð

pigrass

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

ÒÁ¿¨Ë¹ÌصÄСÖí

¡ï ¡ï ¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
abinitio: ½ð±Ò+2, ¹ÄÀø½»Á÷ 2014-12-25 07:44:48
#ÓÐÎÊÌâ·¢ÂÛ̳£¬²»½ÓÊÜ˽ÁÄ#°®¾§Ì壬°®MaterialsStudio#MSר¼­µã»÷ÓÒ±ß#http://emuch.net/taotie/41673.html#ÎïÐÔÊý¾Ý#http://webbook.nist.gov/chemistry/#
2Â¥2014-08-20 09:57:56
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ºìÑÕ²»ÃÀ

½ð³æ (ÕýʽдÊÖ)

ÒýÓûØÌû:
2Â¥: Originally posted by pigrass at 2014-08-20 09:57:56
charmmÓÐÆäËûÁ¦³¡
½¨Òé¿´¿´
http://en.wikipedia.org/wiki/CHARMM
http://mackerell.umaryland.edu/charmm_ff.shtml
http://www.charmm.org/package/releases.html

ÎÒÏëÎÊÄúÒ»ÏÂcharmmÍøÕ¾ÏÔʾÆä³ÌÐò°ü¶¼³öµ½charmm40ÁË ÄÇôËüµÄ²ÎÊýÎļþҪȥÄĶùÏ Ŀǰ²ÎÊýÎļþÎÒÖ»ÕÒµ½ÁË22Óë27

» ±¾ÌûÒÑ»ñµÃµÄºì»¨£¨×îÐÂ10¶ä£©

¼ÆËãÄ£Äâbiubiu
3Â¥2014-08-21 09:12:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

pigrass

ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)

ÒÁ¿¨Ë¹ÌصÄСÖí

¡ï
Сľ³æ: ½ð±Ò+0.5, ¸ø¸öºì°ü£¬Ð»Ð»»ØÌû
ÒýÓûØÌû:
3Â¥: Originally posted by ºìÑÕ²»ÃÀ at 2014-08-21 09:12:32
ÎÒÏëÎÊÄúÒ»ÏÂcharmmÍøÕ¾ÏÔʾÆä³ÌÐò°ü¶¼³öµ½charmm40ÁË ÄÇôËüµÄ²ÎÊýÎļþҪȥÄĶùÏ Ŀǰ²ÎÊýÎļþÎÒÖ»ÕÒµ½ÁË22Óë27...

http://mackerell.umaryland.edu/charmm_ff.shtml Ó¦¸ÃÊÇÕâÀïÏÂÔØÁ¦³¡ C37 C36£¬ÊÊÓ÷¶Î§¿´ÎÄÏ×
#ÓÐÎÊÌâ·¢ÂÛ̳£¬²»½ÓÊÜ˽ÁÄ#°®¾§Ì壬°®MaterialsStudio#MSר¼­µã»÷ÓÒ±ß#http://emuch.net/taotie/41673.html#ÎïÐÔÊý¾Ý#http://webbook.nist.gov/chemistry/#
4Â¥2014-08-21 09:38:47
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] Çóµ÷¼Á +3 °µÓ¿afhb 2026-03-16 3/150 2026-03-20 00:28 by ºÓÄÏ´óѧУÓÑ
[¿¼ÑÐ] 286·ÖÈ˹¤ÖÇÄÜרҵÇëÇóµ÷¼ÁÔ¸Òâ¿ç¿¼£¡ +3 lemonzzn 2026-03-17 3/150 2026-03-19 23:58 by 23Postgrad
[¿¼ÑÐ] 0703»¯Ñ§µ÷¼Á +10 ÄÝÄÝninicgb 2026-03-15 14/700 2026-03-19 22:59 by ѧԱ8dgXkO
[¿¼ÑÐ] ÉúÎïѧµ÷¼ÁÕÐÈË£¡£¡£¡ +3 ɽº£Ììá° 2026-03-17 4/200 2026-03-19 21:34 by ÔõôÊÍ»³
[¿¼ÑÐ] 321Çóµ÷¼Á +8 ºÎÈó²É123 2026-03-18 10/500 2026-03-19 16:46 by ºÎÈó²É123
[¿¼ÑÐ] 324·Ö 085600²ÄÁÏ»¯¹¤Çóµ÷¼Á +3 llllkkkhh 2026-03-18 3/150 2026-03-19 14:22 by houyaoxu
[¿¼ÑÐ] 346Çóµ÷¼Á[0856] +3 WayneLim327 2026-03-16 6/300 2026-03-19 11:21 by WayneLim327
[¿¼ÑÐ] Ò»Ö¾Ô¸»ªÖпƼ¼´óѧ£¬080502£¬354·ÖÇóµ÷¼Á +4 ÊØºòϦÑôCF 2026-03-18 4/200 2026-03-18 22:16 by li123456789.
[¿¼ÑÐ] 085410È˹¤ÖÇÄÜר˶317Çóµ÷¼Á£¨0854¶¼¿ÉÒÔ£© +3 xbxudjdn 2026-03-18 3/150 2026-03-18 22:14 by zhq0425
[¿¼ÑÐ] 311Çóµ÷¼Á +4 ¶¬Ê®Èý 2026-03-18 4/200 2026-03-18 21:47 by ¾¡Ë´Ò¢1
[¿¼ÑÐ] 302Çóµ÷¼Á +10 ºôºôºô¡£¡£¡£¡£ 2026-03-17 10/500 2026-03-18 12:45 by Linda Hu
[¿¼ÑÐ] ¹¤¿Æ²ÄÁÏ085601 279Çóµ÷¼Á +6 À§ÓÚÐdz¿ 2026-03-17 6/300 2026-03-18 10:21 by kkcoco25
[¿¼ÑÐ] 0703»¯Ñ§336·ÖÇóµ÷¼Á +6 zbzihdhd 2026-03-15 7/350 2026-03-18 09:53 by zhukairuo
[¿¼ÑÐ] 268Çóµ÷¼Á +6 ¼òµ¥µã0 2026-03-17 6/300 2026-03-18 09:04 by Î޼ʵIJÝÔ­
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +3 éÙËÌ. 2026-03-17 4/200 2026-03-17 21:43 by ÓÐÖ»ÀêÅ«
[¿¼²©] 26É격 +4 °Ë6°Ë68 2026-03-16 4/200 2026-03-17 13:00 by ÇáËɲ»ÉÙËæ
[¿¼ÑÐ] 326Çóµ÷¼Á +4 ŵ±´¶û»¯Ñ§½±êéê 2026-03-15 7/350 2026-03-16 17:11 by ŵ±´¶û»¯Ñ§½±êéê
[¿¼ÑÐ] 304Çóµ÷¼Á +3 ÂüÊâ2266 2026-03-14 3/150 2026-03-16 16:39 by houyaoxu
[¿¼ÑÐ] ÇóÀÏʦÊÕÁôµ÷¼Á +4 jiang½ª66 2026-03-14 5/250 2026-03-15 20:11 by Winj1e
[¿¼ÑÐ] 080500£¬²ÄÁÏѧ˶302·ÖÇóµ÷¼ÁѧУ +4 ³õʶ¿ÉÀÖ 2026-03-14 5/250 2026-03-14 21:08 by peike
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û