| ²é¿´: 1310 | »Ø¸´: 6 | |||||
| µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû | |||||
dgwflyгæ (ÕýʽдÊÖ)
|
[ÇóÖú]
Ôõô²ÅÄÜÕÒµ½ÁòËáï§µÄLennard-Jones²ÎÊýÊǶàÉÙ£¿ ÒÑÓÐ2È˲ÎÓë
|
||||
| LJÄ£ÐÍÀïÃæµÄÁ½¸ö²ÎÊýÒ»¸öÅöײֱ¾¶Sigma£¬Ò»¸öÊÆÄÜÚåµÄÉî¶È¡£ÒòΪҪ¼ÆËãд¶«Î÷£¬ÒªÖªµÀÁòËá淋ĻòÕßÁòËá¸ùÀë×Ó¡¢ï§¸ùÀë×ӵġ£ÔÚÎÄÏ×ÀïÒ»Ö±ÕÒ²»µ½¡£»òÕßÔõô¼ÆËã³öÀ´£¿ |
» ²ÂÄãϲ»¶
ÓÐûÓнÓÊձȽϿìµÄsciÆÚ¿¯Ñ½£¬×îºÃÔÚÒ»¸öÔÂÖ®Äڵģ¬ÑÐÈýº¢×ÓÇó±ÏÒµ
ÒѾÓÐ4È˻ظ´
294Çóµ÷¼Á
ÒѾÓÐ3È˻ظ´
¿ÒÇëÓÐѧУÊÕÁô
ÒѾÓÐ8È˻ظ´
Ò»Ö¾Ô¸»ªÖÐũҵ071010£¬320Çóµ÷¼Á
ÒѾÓÐ17È˻ظ´
ÊÕµ½¸´ÊÔµ÷¼Áµ«ÊÇÈ¥²»ÁË
ÒѾÓÐ5È˻ظ´
297£¬¹¤¿Æµ÷¼Á?
ÒѾÓÐ4È˻ظ´
291Çóµ÷¼Á
ÒѾÓÐ9È˻ظ´
300Çóµ÷¼Á
ÒѾÓÐ11È˻ظ´
22ר˶Çóµ÷¼Á
ÒѾÓÐ12È˻ظ´
²ÄÁÏÏà¹Ø×¨Òµ344Çóµ÷¼ÁË«·Ç¹¤¿ÆÑ§Ð£»ò¿ÎÌâ×é
ÒѾÓÐ25È˻ظ´
» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:
Çó Zr µÄLennard¨Cjones potential£¨12-6£©Á½¸ö²ÎÊý
ÒѾÓÐ8È˻ظ´
Äܲ»ÄÜÓÃÁ¿×Ó»¯Ñ§¼ÆËã½á¹ûÄâºÏLennard-JonesÊÆ£¬ÔõôÄâºÏ£¿
ÒѾÓÐ5È˻ظ´
Coarse - graining Ä£ÐÍÖÐLennard - Jones ÊÆÄܺ¯ÊýµÄÖ¸ÊýÊÇÔõôµ÷ÕûµÄ£¿
ÒѾÓÐ9È˻ظ´
pigrass
ר¼Ò¹ËÎÊ (ÖøÃûдÊÖ)
ÒÁ¿¨Ë¹ÌصÄСÖí
-

ר¼Ò¾Ñé: +503 - Ä£ÄâEPI: 4
- Ó¦Öú: 377 (˶ʿ)
- ½ð±Ò: 10371
- É¢½ð: 3286
- ºì»¨: 166
- Ìû×Ó: 2101
- ÔÚÏß: 1968.4Сʱ
- ³æºÅ: 1463681
- ×¢²á: 2011-10-27
- ÐÔ±ð: GG
- רҵ: ¸ß·Ö×Ó²ÄÁϽṹÓëÐÔÄÜ
- ¹ÜϽ: ·Ö×ÓÄ£Äâ
|
http://pan.baidu.com/s/1Coc70 ÕâÀïÓÐЩLJÊÆº¯ÊýÄâºÏµÄ×ÊÁÏ ÎÒ²»ÖªµÀÀë×ÓÓÃL-JÐÎʽÊDz»ÊǺÏÊÊ£¬²»¹ýÄã¿ÉÒÔ³¢ÊÔһϠL-JÊÆ²ÎÊýµÄ»ñµÃÒ»¸ö¼òµ¥Ë¼Â·ÊÇÕâÑùµÄ 1¡¢¼ÆËã½á¹¹µÄƽºâ̬ 2¡¢¼Ù¶¨r0¼ä¾àʱÁ½¸öÔ×Ó¼äµÄÊÆÄÜΪE0 E0ºÍr0·ûºÏL-JÊÆº¯Êý¹ØÏµ r0µãL-JÊÆº¯ÊýµÄбÂÊΪ0 Á½¸ö·½³ÌÇóÁ½¸ö²ÎÊýA¡¢B |

7Â¥2015-03-17 10:32:36
leijincheng
½ð³æ (СÓÐÃûÆø)
- Ó¦Öú: 6 (Ó×¶ùÔ°)
- ½ð±Ò: 925.3
- ºì»¨: 3
- Ìû×Ó: 103
- ÔÚÏß: 57.3Сʱ
- ³æºÅ: 1680356
- ×¢²á: 2012-03-10
- ÐÔ±ð: GG
- רҵ: ¹ÌÌåÁ¦Ñ§
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï ¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
dgwfly: ½ð±Ò+3 2015-03-14 09:45:44
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
dgwfly: ½ð±Ò+3 2015-03-14 09:45:44
| »°ËµÒ»¸öÊÆ²ÎÊý×îÔʼµÄµÃ·¨¾ÍÊÇÓõÚÒ»ÐÔÔÀíÈ¥Ë㣬Ȼºó×Ô¸ö¶ùÄâºÏ³öÕâÁ½¸ö²ÎÊý£¬Õâ¸öû¶àÉÙ»áµÄ°É£¬¶øÇÒÌ«Âé·³¡£Â¥Â¥ÊÔÊÔÓÃMS½¨Á½¸ö£¬¸Ä±ä¾àÀëÈ»ºóÄâºÏÁ½¸ö²ÎÊýߣ¨Õâ¸öÃ²ËÆÒ²²»¼òµ¥£© |

2Â¥2015-03-14 09:01:18
dgwfly
гæ (ÕýʽдÊÖ)
- Ó¦Öú: 0 (Ó×¶ùÔ°)
- ½ð±Ò: 683.9
- É¢½ð: 258
- ºì»¨: 9
- Ìû×Ó: 543
- ÔÚÏß: 202Сʱ
- ³æºÅ: 3454332
- ×¢²á: 2014-10-04
- ÐÔ±ð: MM
- רҵ: ÊýÂÛ
3Â¥2015-03-14 09:45:37
lsloneil
ר¼Ò¹ËÎÊ (ÕýʽдÊÖ)
-

ר¼Ò¾Ñé: +49 - Ä£ÄâEPI: 2
- Ó¦Öú: 148 (¸ßÖÐÉú)
- ½ð±Ò: 8640.9
- É¢½ð: 507
- ºì»¨: 30
- Ìû×Ó: 505
- ÔÚÏß: 598.4Сʱ
- ³æºÅ: 556471
- ×¢²á: 2008-05-11
- ÐÔ±ð: GG
- רҵ: ÀíÂۺͼÆË㻯ѧ
- ¹ÜϽ: ·Ö×ÓÄ£Äâ
¡¾´ð°¸¡¿Ó¦Öú»ØÌû
¡ï ¡ï
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
dgwfly: ½ð±Ò+2 2015-03-14 15:09:52
¸Ðл²ÎÓ룬ӦÖúÖ¸Êý +1
dgwfly: ½ð±Ò+2 2015-03-14 15:09:52
|
1. Ê×Ïȳ¢ÊÔËÑË÷ammonium sulfate Lennard Jones¿´ÊÇ·ñÒÑÓÐÎÄÏ×ÓÐÕâ·½Ãæ²ÎÊý¡£ 2. ³¢ÊÔÔÚAMBER, OPLS, CHARMM, COMPASS, DREIDINGµÈÁ¦³¡µÄÎÄÏ×ÖÐÕÒÊÇ·ñÓжÔÓ¦Ô×ÓÀàÐ͵ÄLJ²ÎÊý£¬ÎҲ²âAMBER»òOPLSÀïºÜ¿ÉÄÜÓжÔÓ¦Ô×ÓÀàÐ͵IJÎÊý¡£ |
4Â¥2015-03-14 13:03:39













»Ø¸´´ËÂ¥
20