Znn3bq.jpeg
±±¾©Ê¯ÓÍ»¯¹¤Ñ§Ôº2026ÄêÑо¿ÉúÕÐÉú½ÓÊÕµ÷¼Á¹«¸æ
²é¿´: 2003  |  »Ø¸´: 10

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

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

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

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

bay__gulf

½ð³æ (ÖøÃûдÊÖ)

ÁõËÕÖÝ

¡ï ¡ï ¡ï
Сľ³æ(½ð±Ò+0.5):¸ø¸öºì°ü£¬Ð»Ð»»ØÌû½»Á÷
lei0736(½ð±Ò+2):лл 2010-06-28 10:29:13
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£¿

NpTϵ×ÚÔÚrun ÖкÐ×ÓÌå»ýÊÇ»á±ä»¯µÎ
ÒýÓûØÌû:
Originally posted by bay__gulf at 2010-06-27 09:16:43:
·ñÔòµÈ·¢ÏÖMD run ÍêÁË, Êý¾Ý·ÖÎöÍêÁË
ÉõÖÁÎÄÕÂͶ³öȥʱºò²Å·¢ÏÖÄ£ÄâÓиöÎÊÌâ, µ¢ÎóµÄʱ¼ä¸ü¶à

6Â¥2010-06-28 08:56:59
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

574384607

Òø³æ (СÓÐÃûÆø)

¡ï ¡ï ¡ï
ghcacj(½ð±Ò+3):лл 2010-06-28 09:27:13
ÒýÓûØÌû:
Originally posted by bay__gulf at 2010-06-28 08:56:59:

NpTϵ×ÚÔÚrun ÖкÐ×ÓÌå»ýÊÇ»á±ä»¯µÎ

ÎÒÔÚconfÖÐÖ¸¶¨µÄϵ×Û¾ÍÊÇnpt£¬ÎÒÉèµÄ·ÖÏòÁ¿ÖµÕýºÃ¾ÍÊǰѱ߳¤Öµ¸øÍêÈ«¿½±´¹ýÈ¥µÄ£¬Õâô˵¿Ï¶¨ÊÇÓÐÓ°ÏìÀ²
Ó¦¸ÃÊÇÔõô´¦Àí°¡£¬°ÑÖµÉÔ´óЩ£¿Ó¦¸ÃÒÀ¾Ýʲô¹æÔò°ÑÖµµ÷´ó°¡
7Â¥2010-06-28 09:13:39
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

574384607

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by coolrainbow at 2010-06-28 08:40:13:


Ó¦¸Ãûʲô̫´óÎÊÌ⣬¿´Çé¿ö°É

ϵ×ÛÎÒÑ¡ÓõÄÊÇnpt£¬ÎÒÉèµÄ·ÖÏòÁ¿ÖµÕýºÃ¾ÍÊǰѱ߳¤Öµ¸øÍêÈ«¿½±´¹ýÈ¥µÄ
ÕâÑùÓÐûÓÐÓ°Ïì°¡
ÒªÊDz»ºÏÊʵϰ£¬Ó¦¸ÃÊÇÔõô´¦Àí°¡£¬°ÑÖµÉÔ´óЩ£¿Ó¦¸ÃÒÀ¾Ýʲô¹æÔò°ÑÖµµ÷´ó°¡
8Â¥2010-06-28 09:15:40
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

bay__gulf

½ð³æ (ÖøÃûдÊÖ)

ÁõËÕÖÝ

¡ï ¡ï
574384607(½ð±Ò+3): 2010-06-28 10:00:46
lei0736(½ð±Ò+2):лл 2010-06-28 10:29:29
±ä»¯ÊÇÕý³£µÎ, ƽ¾ùÖµÊÇÄÚÔÚµÎ
ÈÎËüÅܼ´¿É
PMEGridSize Òª¿¼Âǵ½Õâ¸ö±ä»¯
9Â¥2010-06-28 09:27:23
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû

574384607

Òø³æ (СÓÐÃûÆø)

ÒýÓûØÌû:
Originally posted by bay__gulf at 2010-06-28 09:27:23:
±ä»¯ÊÇÕý³£µÎ, ƽ¾ùÖµÊÇÄÚÔÚµÎ
ÈÎËüÅܼ´¿É
PMEGridSize Òª¿¼Âǵ½Õâ¸ö±ä»¯

°Â
PMEGridSize ÉèµÄÊDZȺÐ×ÓÖµ´óЩ
°æÖ÷£¬ÎÒÓиöÒÉÎÊ£¬ÒÔǰ¿´µ½¹ýPME£¬ÎÒÒ²²é¹ýËü£¬ËµÊÇʲôÏà³Ë¸ñµãÊýʲôµÄ£¬Ò²Ã»ÄÜÇå³þ£¬¶øÇÒÎÒÔÚconfÖÐÊÔ×ŰÑËüµ÷µÄ±È±ß³¤Ð¡Ê±£¬ÔËÐÐʱ»áÌáʾ´íÎó¡£PMEËüµÄÎïÀíº¬Òåµ½µ×ÊÇʲô°¡
10Â¥2010-06-28 10:09:03
ÒÑÔÄ   »Ø¸´´ËÂ¥   ¹Ø×¢TA ¸øTA·¢ÏûÏ¢ ËÍTAºì»¨ TAµÄ»ØÌû
Ïà¹Ø°æ¿éÌø×ª ÎÒÒª¶©ÔÄÂ¥Ö÷ 574384607 µÄÖ÷Ìâ¸üÐÂ
×î¾ßÈËÆøÈÈÌûÍÆ¼ö [²é¿´È«²¿] ×÷Õß »Ø/¿´ ×îºó·¢±í
[¿¼ÑÐ] 285Çóµ÷¼Á +5 ¶ñ·¨´ó¶þµÄÆøÎ¶ß 2026-04-05 8/400 2026-04-07 23:37 by shanqishi
[¿¼ÑÐ] 331Çóµ÷¼Á +5 ÕÅÔªÒ» 2026-04-07 6/300 2026-04-07 22:13 by hemengdong
[¿¼ÑÐ] ũѧ£¬Çóµ÷¼Á£¬314·Ö +4 ·Ã¿Í¼Ç¼¿É°® 2026-04-04 4/200 2026-04-07 21:07 by µÈ°¶
[¿¼ÑÐ] ²ÄÁϹ¤³Ì322·Ö +14 ¹þ¹þ¹þºðºðºð¹þ 2026-04-01 14/700 2026-04-07 16:14 by ¾²»¨¶ù
[¿¼ÑÐ] Çóµ÷¼Á +4 µçÆøÐ¡Éñͯ 2026-04-04 6/300 2026-04-07 00:14 by guanxin1001
[¿¼ÑÐ] ¿¼Ñе÷¼Á +7 15615482637 2026-04-04 7/350 2026-04-06 22:56 by chenzhimin
[¿¼ÑÐ] Ò»Ö¾Ô¸ ½­ÄÏ´óѧ 085602 »¯¹¤×¨Ë¶ 338·ÖÇóµ÷¼Á +15 ·³ÕСç÷ 2026-04-05 15/750 2026-04-06 09:27 by cql1109
[¿¼ÑÐ] 348Çóµ÷¼Á +3 ³µÀå×Ózzz 2026-04-05 3/150 2026-04-05 20:30 by à£à£à£0119
[¿¼ÑÐ] ¿¼Ñе÷¼ÁÉúѰÕÒµ¼Ê¦ +3 ¹ËÕ°¿¼Ñа¡ 2026-04-05 3/150 2026-04-05 18:18 by à£à£à£0119
[¿¼ÑÐ] 0854Çóµ÷¼Á +4 assdll 2026-04-04 4/200 2026-04-05 09:44 by zhq0425
[¿¼ÑÐ] 295Çóµ÷¼Á +4 AÄãºÃÑо¿Éú 2026-04-04 5/250 2026-04-04 22:46 by yu221
[¿¼ÑÐ] Ò»Ö¾Ô¸ÄÏÅ©090401£¬268£¬Çóµ÷¼Á +5 һľÄñÈ» 2026-04-04 5/250 2026-04-04 17:07 by babysonlkd
[¿¼ÑÐ] ¿¼ÑÐÇóµ÷¼Á +3 ľÐÄÏë¼ÌÐøÉîÔì 2026-04-03 3/150 2026-04-03 21:56 by à£à£à£0119
[¿¼ÑÐ] 335Çóµ÷¼Á +7 ÉòÇåÁ§ 2026-04-03 7/350 2026-04-03 18:55 by lijunpoly
[¿¼ÑÐ] ר˶085601Çóµ÷¼Á +7 suyifei 2026-04-03 8/400 2026-04-03 14:00 by ÐÀϲ777
[¿¼ÑÐ] 338Çóµ÷¼Á£¬Ò»Ö¾Ô¸ÄÜÔ´¶¯Á¦£¬ÍâÓïÊÇÈÕÓï203 +5 zzz£¬£¬r 2026-04-02 5/250 2026-04-03 09:45 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 309Çóµ÷¼Á +14 ´ô¹½²»ÊÇ´÷·ò 2026-04-02 14/700 2026-04-03 09:42 by À¶ÔÆË¼Óê
[¿¼ÑÐ] 296Çóµ÷¼Á +4 sdhu 2026-04-02 4/200 2026-04-02 21:29 by baoball
[¿¼ÑÐ] 266Çóµ÷¼Á +4 ѧԱ97LZgn 2026-04-02 4/200 2026-04-02 13:03 by yulian1987
[¿¼ÑÐ] ÄÜÔ´¶¯Á¦ µ÷¼Á +3 ²»ÆÆ²»Á¢0 2026-04-02 3/150 2026-04-02 12:46 by ffffjjjj
ÐÅÏ¢Ìáʾ
ÇëÌî´¦ÀíÒâ¼û