Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2002  |  »Ø¸´: 10
µ±Ç°Ö»ÏÔʾÂú×ãÖ¸¶¨Ìõ¼þµÄ»ØÌû£¬µã»÷ÕâÀï²é¿´±¾»°ÌâµÄËùÓлØÌû

574384607

Òø³æ (СÓÐÃûÆø)

[½»Á÷] ¡¾ÇóÖú¡¿ÖÜÆÚ±ß½çÌõ¼þÉ趨 ÒÑÓÐ4È˲ÎÓë

Periodic Boundary conditionsÀïcellBasisVector1    cellBasisVector2     cellBasisVector3     ÊÇÔõô¸³Öµ°¡£¬ÊÇÖ»ÒªÁ½Á½´¹Ö±¾ÍÐÐÂð£¿

»¹ÓÐPME£¬PMEGridSizeX        PMEGridSizeY   PMEGridSizeZ      ÊÇÒÀ¾ÝʲôÉ趨µÄ£¬Ó¦¸ÃÔõôÉè

ÉÏÃæÕâÁ½¸ö¶¼²ÉÓÃĬÈÏÖµ£¬¶ÔÒ»°ãµÄÄ£ÄâÓÐÓ°ÏìÂð
»Ø¸´´ËÂ¥

» ²ÂÄãϲ»¶

» ±¾Ö÷ÌâÏà¹Ø¼ÛÖµÌùÍÆ¼ö£¬¶ÔÄúͬÑùÓаïÖú:

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

coolrainbow

ľ³æ (ÖøÃûдÊÖ)

δÀ´¹ú¼Ò¶³Á¹

¡ï ¡ï ¡ï
574384607(½ð±Ò+2): 2010-06-28 08:33:09
ghcacj(½ð±Ò+3):лл 2010-06-28 08:51:26
ÒýÓûØÌû:
Originally posted by 574384607 at 2010-06-27 08:51:30:
Periodic Boundary conditionsÀïcellBasisVector1    cellBasisVector2     cellBasisVector3     ÊÇÔõô¸³Öµ°¡£¬ÊÇÖ»ÒªÁ½Á½´¹Ö±¾ÍÐÐÂð£¿

»¹ÓÐPME£¬PMEGridSizeX        PMEGridSizeY   PMEGridSizeZ      ÊÇÒÀ ...

PBCÈý¸öÒªºÍÄãµÄË®ÏäÐÎ×´ÏàÆ¥Å䣬¾ßÌåÀ´½²±ÈÄãµÄË®ÏäÂÔ´ó¸ö1A»òÁãµã¼¸A°É£¬´¹²»´¹Ö±Òª¿´ÄãµÄÌåϵ

PMEµÄ³¤¶ÈÐèÒª±ÈÄãµÄË®Ï䳤¶ÈÂԴ󣬲¢ÇÒ×îºÃÊÇ2 3 5µÄ±¶Êý£¬±ÈÈçË®Ï䳤76£¬ÔòPME×îºÃÉè80¶ø²»ÊÇ79£¬ÒòΪ80=2^4*5
¼¼Êõ²©¿Í£ºhttp://hi.baidu.com/coolrainbow/blog
3Â¥2010-06-28 07:43:41
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
²é¿´È«²¿ 11 ¸ö»Ø´ð

zhangdagou5858

Òø³æ (СÓÐÃûÆø)

¡ï
574384607(½ð±Ò+1): 2010-06-28 08:32:13
ghcacj(½ð±Ò+1):лл 2010-06-28 08:51:49
½¨ÒéÄã¿´¿´gromacsµÄ½Ì³Ì°É£¬´ð°¸Õҵõ½
2Â¥2010-06-28 02:47:38
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

574384607

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by coolrainbow at 2010-06-28 07:43:41:


PBCÈý¸öÒªºÍÄãµÄË®ÏäÐÎ×´ÏàÆ¥Å䣬¾ßÌåÀ´½²±ÈÄãµÄË®ÏäÂÔ´ó¸ö1A»òÁãµã¼¸A°É£¬´¹²»´¹Ö±Òª¿´ÄãµÄÌåϵ

PMEµÄ³¤¶ÈÐèÒª±ÈÄãµÄË®Ï䳤¶ÈÂԴ󣬲¢ÇÒ×îºÃÊÇ2 3 5µÄ±¶Êý£¬±ÈÈçË®Ï䳤76£¬ÔòPME×îºÃÉè80¶ø²»ÊÇ79£¬ÒòΪ80 ...

PBCÈý¸ö±ß³¤ÏòÁ¿ÎÒÉèµÄºÍË®ÏäµÄ±ß³¤Ò»Ñù´ó£¬ÒѾ­×ö¿ªÓÅ»¯ÁË£¬ÕâÑùÓÐÓ°ÏìÂð£¿
4Â¥2010-06-28 08:35:32
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

coolrainbow

ľ³æ (ÖøÃûдÊÖ)

δÀ´¹ú¼Ò¶³Á¹

¡ï
574384607(½ð±Ò+2): 2010-06-28 08:45:03
ghcacj(½ð±Ò+1):лл 2010-06-28 08:51:38
ÒýÓûØÌû:
Originally posted by 574384607 at 2010-06-28 08:35:32:

PBCÈý¸ö±ß³¤ÏòÁ¿ÎÒÉèµÄºÍË®ÏäµÄ±ß³¤Ò»Ñù´ó£¬ÒѾ­×ö¿ªÓÅ»¯ÁË£¬ÕâÑùÓÐÓ°ÏìÂð£¿

Ó¦¸Ãûʲô̫´óÎÊÌ⣬¿´Çé¿ö°É
¼¼Êõ²©¿Í£ºhttp://hi.baidu.com/coolrainbow/blog
5Â¥2010-06-28 08:40:13
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] ÉúÎïѧ308·ÖÇóµ÷¼Á£¨Ò»Ö¾Ô¸»ª¶«Ê¦´ó£©×ö¹ý·Ö×ÓʵÑé +5 ÏàÐűػá¹ââÍòÕ 2026-04-07 6/300 2026-04-08 00:19 by JourneyLucky
[¿¼ÑÐ] Ò»Ö¾Ô¸211£¬»¯Ñ§Ñ§Ë¶£¬310·Ö£¬±¾¿ÆÖصãË«·Ç£¬Çóµ÷¼Á +12 ŬÁ¦·Ü¶·112 2026-04-06 13/650 2026-04-07 23:49 by JourneyLucky
[¿¼ÑÐ] ¼ÆËã»ú11408 287 Çóµ÷¼Á +3 LiLe5 2026-04-07 3/150 2026-04-07 23:15 by shanqishi
[¿¼ÑÐ] 368»¯Ñ§Çóµ÷¼Á +4 wwwwabcde 2026-04-07 5/250 2026-04-07 22:51 by wwwwabcde
[¿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] ÉúÎïѧѧ˶Çóµ÷¼Á£º351·ÖÒ»Ö¾Ô¸ÄϾ©Ê¦·¶´óѧÉúÎïѧרҵ +6 ¡­¡«¡¢Íõ¡­¡« 2026-04-06 7/350 2026-04-06 18:54 by macy2011
[¿¼ÑÐ] 0855Çóµ÷¼Á²ÄÁÏ +11 ºìÌÒׯׯ 2026-04-04 12/600 2026-04-06 10:26 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 296Çóµ÷¼Á +3 Íô£¡£¿£¡ 2026-04-05 4/200 2026-04-05 20:13 by à£à£à£0119
[¿¼ÑÐ] 315Çóµ÷¼Á +5 £¦123456789 2026-04-05 5/250 2026-04-05 19:55 by nepu_uu
[¿¼ÑÐ] ²ÄÁϵ÷¼Á +13 Ò»ÑùYWY 2026-04-03 14/700 2026-04-05 18:20 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 0860 Çóµ÷¼Á Ò»Ö¾Ô¸¹ú¿Æ´ó 348 ·Ö +3 WiiiP 2026-04-03 3/150 2026-04-05 17:43 by Ecowxq666£¡
[¿¼ÑÐ] ÊýÒ»Ó¢Ò»274»úеµ÷¼Á +5 ÐÇÔÉÁ÷ϼ 2026-04-04 6/300 2026-04-05 11:38 by arrow8852
[¿¼ÑÐ] 338Çóµ÷¼Á +7 êɹ¦? 2026-04-03 7/350 2026-04-04 20:37 by À¶ÔÆË¼Óê
[¿¼ÑÐ] Ò»Ö¾Ô¸»¦9£¬ÇóÉúÎïѧµ÷¼Á£¬326·Ö +6 Áõīī 2026-04-04 6/300 2026-04-04 19:44 by ÌÆãå¶ù
[¿¼ÑÐ] 291Çóµ÷¼Á +4 ÃÔÃÉľľ 2026-04-01 5/250 2026-04-04 15:59 by sihailian3
[¿¼ÑÐ] 320µ÷¼Á +4 ũҵ¹¤³ÌÓëÐÅÏ¢¼ 2026-04-03 4/200 2026-04-03 21:40 by lbsjt
[¿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] ¹¤¿Æ341·Öµ÷¼Á +3 Âå¶àÂÞ 2026-04-03 3/150 2026-04-03 14:20 by 1753564080
[¿¼ÑÐ] ÍÁľ304Çóµ÷¼Á +4 ÍÃͻͻͻ£¬ 2026-04-02 5/250 2026-04-02 21:16 by ÍÃͻͻͻ£¬
[¿¼ÑÐ] 266Çóµ÷¼Á +4 ѧԱ97LZgn 2026-04-02 4/200 2026-04-02 13:03 by yulian1987
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û