±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 1472  |  »Ø¸´: 20
µ±Ç°Ö÷ÌâÒѾ­´æµµ¡£
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

annalolo

[½»Á÷] ¡¾ÇóÖú¡¿ÈçºÎÔÚVMDÈí¼þÄܹ»¿´µ½BOXµÄ½á¹¹ºÍÄ£ÄâµÄ¹ý³ÌͼÏñ£¿

ÇëÎÊÄú
      ·Ö×Ó¶¯Á¦Ñ§Ä£Äâʱ£¬ÈçºÎÓÃfortranÓïÑÔ¸ñʽ±àдÉú³ÉÎļþ£¬ÔÚVMDÈí¼þÄܹ»¿´µ½BOXµÄ½á¹¹ºÍÄ£ÄâµÄ¹ý³ÌͼÏñ£¿²»Ê¤¸Ð¼¤¡£

[ Last edited by zzgyb on 2008-1-12 at 16:31 ]
»Ø¸´´ËÂ¥
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

znet0201

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï
lei0736(½ð±Ò+2,VIP+0):¶àлָµã
PDB ¶Ô¸ñʽÊÇÓÐÒªÇóµÄ£¬ÎÒ¾ßÌå²»ÊǺÜÇå³þ£¬ÄãµÃ×Ô¼ºÈ¥Ñо¿ÏÂÁË(google)¡£ xyz ¸ñʽÊÇ free-formatµÄ£¬²»ÊǸüºÃÂð£¿

±à³ÌµÄÎÊÌâ²Î¿¼IFORTµÄ¼¼ÊõÊÖ²á°É¡£
7Â¥2008-03-22 03:18:21
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 21 ¸ö»Ø´ð

annalolo

ûÈ˻ظ´£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿£¿
2Â¥2008-01-14 10:39:51
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

ÄäÃû

Óû§×¢Ïú (СÓÐÃûÆø)


¡ï
zzgyb(½ð±Ò+1,VIP+0):ллÄãµÄ²ÎÓ룬»¶Ó­¼ÌÐø¹Ø×¢¼ÆËãÄ£Äâ°æ£¡
±¾Ìû½öÂ¥Ö÷¿É¼û
3Â¥2008-02-17 02:00:56
ÒÑÔÄ   ÉêÇëQCÇ¿Ìû   »Ø¸´´ËÂ¥   ±à¼­   ²é¿´ÎÒµÄÖ÷Ò³

znet0201

½ð³æ (ÕýʽдÊÖ)

¡ï ¡ï
lei0736(½ð±Ò+2,VIP+0):ºÇºÇ ллÄÍÐĻظ´
ÄãfortranµÄ³ÌÐòÒªÊä³öÒ»¸öxyzµÄÎļþ£¬¼û¸½¼þÖÐÊÇhydrogenµÄMD trajectory¡£

VMD×Ô¼ºÊÇûÓв˵¥Ñ¡ÏîÀ´ÏÔʾsimulation box

¿ÉÒÔͨ¹ýTcl ½Å±¾ÊµÏÖ£¬¼û¸½¼þ£¨ÊÊÓÃÓÚcubic box)¡£

ʹÓÃʱÔÚTcl consoleÖÐsource Õâ¸ö½Å±¾¼´¿É¡£

£¨Õâ¸ö·½·¨±È½Ï±¿£¬Ó¦¸ÃÓиü¼ò±ãµÄ·½·¨£¬ÊìϤVMDµÄͬ־Çë¸úÌû¡«£©

ʹÓÃÊÇÊäÈëdraw_cubic [Your box length]
4Â¥2008-02-23 19:01:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] »¯¹¤Çóµ÷¼Á£¡ +21 RichLi_ 2026-04-06 21/1050 2026-04-07 10:11 by flydream1314
[¿¼ÑÐ] 283Çóµ÷¼Á +16 A child 2026-04-04 16/800 2026-04-07 10:03 by flydream1314
[¿¼ÑÐ] ÉúÎïÓëÒ½Ò©Çóµ÷¼Á +7 heguanhua 2026-04-05 8/400 2026-04-06 18:41 by macy2011
[¿¼ÑÐ] 307Çóµ÷¼Á +3 ËùÄî¼°ËùÍû 2026-04-06 3/150 2026-04-06 17:30 by ÍÁľ˶ʿÕÐÉú
[¿¼ÑÐ] Çóµ÷¼Á +8 ÕÅzic 2026-04-05 9/450 2026-04-06 13:03 by Öí»á·É
[¿¼ÑÐ] Çóµ÷¼Á£¬Ò»Ö¾Ô¸ÏÃÃÅ´óѧ£¬ÉúÎïÓëÒ½Ò©£¬×Ü·Ö272£¬±¾¿Æ211 +4 Electron1cc 2026-04-01 5/250 2026-04-06 10:45 by barlinike
[¿¼ÑÐ] 331Çóµ÷¼Á +8 ÓÚÕ÷yz 2026-04-05 8/400 2026-04-06 00:54 by fmesaito
[¿¼ÑÐ] 320·ÖÈ˹¤ÖÇÄܵ÷¼Á +8 Õñ¡ªTZ 2026-04-03 8/400 2026-04-05 22:33 by ·¶Ê½Ë¼Î¬
[¿¼ÑÐ] 085600µ÷¼Á +9 ¶«ÕÕÕÕÕÕ 2026-04-04 9/450 2026-04-05 13:44 by ujn_zhuj
[¿¼²©] É격 +7 IQwQl 2026-04-04 7/350 2026-04-04 23:32 by mumin1990
[¿¼ÑÐ] 294Çóµ÷¼Á +6 Grey_Ey 2026-04-02 9/450 2026-04-04 22:07 by hemengdong
[¿¼ÑÐ] 315Çóµ÷¼Á +13 СÑòСÑò_ 2026-04-02 14/700 2026-04-04 20:30 by À¶ÔÆË¼Óê
[¿¼ÑÐ] ¡£ +5 ÎíÓ뺣 2026-04-02 6/300 2026-04-04 19:53 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸085404£¬×Ü·Ö291£¬Ëļ¶Òѹý£¬Çóµ÷¼Á +5 °¢¿¡°¢¿¡°¢¿¡ 2026-04-04 7/350 2026-04-04 13:23 by Á«²Ë¾ÍÊÇź°É
[¿¼ÑÐ] 372·Ö²ÄÁÏÓ뻯¹¤£¨085600£©Ò»Ö¾Ô¸ºþÄÏ´óѧÇóµ÷¼Á +3 À¶¼ãƬ 2026-04-03 4/200 2026-04-03 17:58 by Jimmyandyou
[¿¼ÑÐ] 319Çóµ÷¼Á +18 Ì«ÈÝÒ×1018 2026-04-01 18/900 2026-04-03 11:18 by linyelide
[¿¼ÑÐ] 275ѧ˶081000·þ´Óµ÷¼Áµ½ÆäËûרҵ£¬±£²»×¡±¾×¨ÒµÁË +7 һֻССˮţ 2026-04-02 8/400 2026-04-02 14:23 by alice-2022
[¿¼ÑÐ] ÄÜÔ´¶¯Á¦ µ÷¼Á +3 ²»ÆÆ²»Á¢0 2026-04-02 3/150 2026-04-02 12:46 by ffffjjjj
[¿¼ÑÐ] Ò»Ö¾Ô¸9³õÊÔ366 ±¾Ë«·ÇÇóµ÷¼Á +4 ÔËÆøÀ´µÃÈôÓÐËÆÎ 2026-04-02 4/200 2026-04-02 09:56 by guanxin1001
[¿¼ÑÐ] »¯Ñ§¹¤³Ìר˶324·Ö£¬Ò»Ö¾Ô¸Öйú¿óÒµ´óѧÇóµ÷¼Á +7 ¹¢¹¢1314 2026-04-01 7/350 2026-04-02 07:40 by ÉÐË®¸óÖ÷
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û