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全部專家會診 MS LAMMPS/DL_POLY Gromacs/Amber/NAMD DS/Sybyl/Autodock Monte Carlo ME/Gulp Hyperchem CPMD/CP2K 資源其他版務

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	[MS] [已完結]誰知道Discover中Ewald方法處理partial charge用的是什么方法？ (1/398)	cougarliu 2011-08-21	2011-08-23 13:58:07 by xiyi1985
[熱點]	材料專碩找調劑	哈哈哈吼吼吼哈 2026-03-29	剛剛
	[Gromacs ] [已完結]鍵角力常數(shù)怎樣算？ (0/648)	patent 2011-08-22	2011-08-22 23:00:08 by patent
	[MS] [已完結]關于ms版本的問題，在低版本上打不開怎么辦？ (2/1017)	tlger 2011-08-22	2011-08-22 18:40:51 by tlger
	[Gromacs ] [已完結][關貼]加上一個特定值 (0/138)	memgr 2011-08-22	2011-08-22 11:31:19 by memgr
	[LAMMPS/ ] [已完結][關貼]win server 2003下lammps的并行安裝問題 (0/1277)	hedonistful 2011-08-22	2011-08-22 09:33:35 by hedonistful
	[MS] [已完結]徑向分布函數(shù)如此之大 (評閱+1) (7/1824)	chenxiankai 2011-05-12	2011-08-21 10:36:13 by 文子526
	[DS/Syby ] [已完結]在ubantu下安裝autodock不成功，求助！ (0/544)	zhaoyichem 2011-08-20	2011-08-20 13:21:04 by zhaoyichem
	[MS] [已完結]請問這種結構式用什么軟件得到的 (3/750)	文子526 2011-08-20	2011-08-20 11:04:20 by ahehyh
	[MS] [已完結]ms5.0 安裝時自定義模塊問題 (3/678)	tlger 2011-08-18	2011-08-20 10:20:06 by wzbhit
	[Gromacs ] [已完結]結合自由能計算出錯 (0/236)	ww5945 2011-08-19	2011-08-19 22:03:32 by ww5945
	[MS] [已完結]幫忙下一個NaA分子篩的資料或結構，有網(wǎng)址 (2/358)	jmlyh666 2011-06-26	2011-08-19 21:45:00 by alphawei
	[DS/Syby ] [已完結]DS的溶劑可及面積以及其他 ( 1 2 ) (12/1635)	lizzie_su 2011-08-16	2011-08-19 16:41:51 by chemozhang
	[LAMMPS/ ] [已完結]lammps菜鳥，請問這是出的什么問題？ (0/255)	527751273 2011-08-19	2011-08-19 16:22:15 by 527751273
	[其他] [已完結]求助：誰會傅里葉變換圖 (8/1904)	zhang727626 2011-08-11	2011-08-19 11:52:45 by tsiangsun
	[DS/Syby ] [已完結][關貼]求助用DS進行同源建模的高手 (2/935)	qingtingzhe 2011-08-16	2011-08-18 21:05:52 by qingtingzhe
	[MS] [已完結]納米線動力學模擬 (0/172)	tonghuadream 2011-08-18	2011-08-18 19:16:51 by tonghuadream
	[MS] [已完結]有沒有方法讓ms打開時不跳窗口 (1/439)	tlger 2011-08-18	2011-08-18 18:23:31 by wzbhit
	[MS] [已完結]納米薄膜摩擦問題 (4/736)	jdnfine 2011-08-15	2011-08-18 16:42:23 by jdnfine
	[Gromacs ] [已完結]NAMD中二面角參數(shù)中的多重度n怎么確定 (1/422)	gezhenpeng 2011-08-14	2011-08-16 15:39:32 by liqingwen
	[MS] [已完結]求助discover模塊資料 (1/491)	零星 2011-08-15	2011-08-16 11:58:23 by lhllookatme
	[其他] [已完結]求助我的腳本運行不了，求高手指點 (1/346)	leon583520 2011-08-15	2011-08-15 22:06:18 by leon583520
	[Gromacs ] [已完結]GROMACS語言 (0/595)	liuyusuc 2011-08-15	2011-08-15 19:46:17 by liuyusuc
	[其他] [已完結]門外漢提問 (3/355)	lizzie_su 2011-08-15	2011-08-15 19:09:55 by yalefield
	[DS/Syby ] [已完結][關貼]dicovery studio 2.5 licence password (5/2012)	qingtingzhe 2011-08-13	2011-08-15 15:18:13 by chemozhang
	[Gromacs ] [已完結]tip5p水分子與自定義原子的L-J參數(shù)構造與壓力控制等問題 (0/1525)	maad 2011-08-15	2011-08-15 11:04:48 by maad
	[MS] [已完結]軌道問題 (2/573)	zhangyanbin858 2011-08-14	2011-08-15 10:45:02 by tianbing67
	[MS] [已完結]關于discover模塊中dynamics模擬時間問題 (1/267)	tlger 2011-08-14	2011-08-15 08:27:02 by wzbhit
	[MS] [已完結]tinker程序使用 (3/590)	liuyusuc 2011-08-03	2011-08-14 11:08:52 by fcenf
	[MS] [已完結]有CCDC的蟲子幫忙查一下二鈦酸鉀的晶體數(shù)據(jù) (2/268)	badercao 2011-08-12	2011-08-14 08:04:38 by badercao
	[MS] [已完結]分子模擬的原理問題 (5/691)	liuyusuc 2011-08-09	2011-08-13 17:44:28 by liuyusuc
	[其他] [已完結]有沒有生成FCC結構的fortran程序？ (0/206)	hxm1989 2011-08-12	2011-08-12 20:58:10 by hxm1989
	[MS] [已完結]NVT平衡問題 (評閱+1) (5/2388)	笑問天 2011-07-10	2011-08-12 20:41:59 by tsiangsun
	[MS] [已完結]density profile如何得到 (模擬EPI+1)(2/990)	tlger 2011-08-12	2011-08-12 20:30:58 by 527751273
	[MS] [已完結]如何計算分子的gibbs自由能 (0/546)	xiaocuicui 2011-08-12	2011-08-12 17:24:02 by xiaocuicui
	[MS] [已完結]dmol3中的小問題 (1/384)	604179362 2011-06-27	2011-08-12 17:06:25 by cenwanglai
	[Gromacs ] [已完結][關貼]誰會compile namd2.8？ (0/181)	superdirac 2011-08-11	2011-08-11 21:04:18 by superdirac
	[DS/Syby ] [已完結][關貼]急！autodock無法運行，提示can't find receptor_rigid.map.fld (0/1273)	hebeilibing1 2011-08-11	2011-08-11 13:51:17 by hebeilibing1
	[DS/Syby ] [已完結]LIBDOCK 虛擬篩選操作問題 (1/351)	綠茶QJM 2011-08-08	2011-08-09 16:02:10 by 綠茶QJM
	[DS/Syby ] [已完結]Autodock怎么處理含有許多model的大分子？ (2/859)	ranzo67 2011-08-09	2011-08-09 14:53:37 by chemozhang
	[其他] [已完結]哪里能下載到Thomas-fermi-dirac的分子動力學程序 (0/244)	ikea1984 2011-08-09	2011-08-09 02:25:36 by ikea1984
	[Monte C ] [已完結]請問碩士文章應該投稿到哪種核心期刊？ (5/2110)	zhuna325 2011-08-05	2011-08-08 14:35:59 by 御劍江湖
	[Monte C ] [已完結]如何定義扭轉檢測器？ (3/418)	咖啡喝不醉 2011-08-06	2011-08-08 12:17:56 by 咖啡喝不醉
	[MS] [已完結]pdb中性雙重態(tài)自由基的情況！ (0/295)	liuyusuc 2011-08-06	2011-08-06 12:43:41 by liuyusuc
	[MS] [已完結]Discover 中動力學模擬總是達不到指定步數(shù) (3/708)	njust05 2011-07-24	2011-08-06 10:32:33 by 咖啡喝不醉
	[MS] [已完結][關貼]MS 導入ICSD 晶體參數(shù)后 MS模型不正確。 (3/551)	o58285880 2011-06-15	2011-08-05 16:25:35 by 水之源
	[MS] [已完結]用tinker的amoeba09力場模擬~~總是提示參數(shù)未定義~~~怎么辦啊~熱切求助 (評閱+1) (模擬EPI+1)(7/2201)	plafalines 2011-05-03	2011-08-05 05:04:20 by ChemiAndy
	[Gromacs ] [已完結]關于審稿人的意見，請大家?guī)兔ΑＶ�。。。�！?/a> (4/1403)	tpp001 2011-06-14	2011-08-05 02:11:20 by zhaoliang_fly
	[其他] [已完結]作者沒回復，怎么辦？ (3/395)	liqingwen 2011-07-26	2011-08-04 17:28:22 by liqingwen
	[Gromacs ] [已完結]新手想知道如何用Amber做蛋白質分子固定某兩個或多個氨基酸距離的MD計算 (模擬EPI+1)(4/1805)	jackyma 2011-06-28	2011-08-04 14:50:55 by jackyma
	[MS] [已完結]請教NaA分子篩骨架結構的搭建？ (8/1510)	061302102 2011-04-19	2011-08-04 09:46:59 by 061302102
	[其他] [已完結]急求文獻！�。� (1/229)	guoman2006 2011-08-03	2011-08-03 16:07:12 by guoman2006
	[MS] [已完結][關貼]誰給發(fā)個《分子模擬基礎》江元生院士版的�。� (0/265)	蟲尾巴 2011-08-03	2011-08-03 10:43:11 by 蟲尾巴
	[MS] [已完結]Random Copolymer中Propagate using內(nèi)兩個合成方法的參數(shù)設置 (0/252)	wangrunkm 2011-08-03	2011-08-03 10:01:55 by wangrunkm
	[MS] [已完結]獲得pdb文件的源文件 (3/1154)	liuyusuc 2011-08-01	2011-08-01 18:36:45 by yalefield
	[Gromacs ] [已完結]每次用gromacs在進行pr時都會出現(xiàn)fatal error，求解 (評閱+2) (4/1522)	syd89522 2011-07-15	2011-08-01 16:14:17 by syd89522
	[MS] [已完結]蛋白質活性腔大小分析 (1/440)	zxl102623 2011-08-01	2011-08-01 14:44:23 by q1036210267
	[Gromacs ] [已完結]氨基酸的密度 (5/1253)	liuyusuc 2011-07-26	2011-08-01 12:06:39 by liuyusuc
	[MS] [已完結]耗散粒子動力學 (9/2262)	liuyusuc 2011-07-22	2011-07-30 14:19:25 by yahoohoo
	[其他] [已完結]計算第一超極化率時是否需要單位換算 (0/567)	楊學舜 2011-07-30	2011-07-30 13:35:17 by 楊學舜
	[其他] [已完結]蛋白三維結構對比分析 (0/457)	yzm3102001 2011-07-27	2011-07-27 09:19:59 by yzm3102001
	[DS/Syby ] [已完結]交叉驗證相關系數(shù)q方和相關系數(shù)R方 ( 1 2 ) (14/3918)	家強 2011-07-12	2011-07-26 21:15:56 by bbslover
	[MS] [已完結]晶體與溶劑的相互作用能 (4/542)	jjgao5 2011-06-29	2011-07-26 19:24:19 by zjj760120
	[其他] [已完結]模擬非均相體系時如何評價力場的準確性？ (1/289)	vigaryang 2011-07-25	2011-07-26 07:11:00 by piaoma
	[MS] [已完結]discover錯誤提示 (1/657)	葉筱晴 2011-06-17	2011-07-25 15:15:52 by crystalzxz
	[ME/Gulp] [已完結]裝的GULP 哪去啦？ (8/1327)	夏目鈴子 2011-07-20	2011-07-25 11:53:59 by w76990480
	[DS/Syby ] [已完結]急求sybyl-x window軟件！ (3/797)	PSA 2011-07-22	2011-07-25 08:47:26 by PSA
	[其他] [已完結][關貼]分子立體構象二面角查看 (0/367)	swustxxl 2011-07-24	2011-07-24 10:31:53 by swustxxl
	[DS/Syby ] [已完結]在sybyl-x中如何優(yōu)化小分子，生成.SLN文件 (2/1283)	shouling 2011-07-19	2011-07-23 23:26:38 by chemozhang
	[DS/Syby ] [已完結]在sybyl-x中如何將.mdb文件夾變成.hist文件 (2/814)	shouling 2011-07-23	2011-07-23 23:20:53 by chemozhang
	[Monte C ] [已完結]如何使用towhee軟件，誰有相關教程？ (0/874)	xinji 2011-07-23	2011-07-23 11:36:47 by xinji
	[DS/Syby ] [已完結]Chem 3D中構建2個手性中心的小分子 (0/1080)	zsla380 2011-07-23	2011-07-23 10:57:16 by zsla380
	[MS] [已完結]溶度參數(shù) (0/215)	liuyusuc 2011-07-22	2011-07-22 19:23:24 by liuyusuc
	[其他] [已完結]請問這個用什么軟件可以畫出來 (3/1030)	tigerzxt 2011-07-21	2011-07-22 10:43:25 by wwt1806
	[DS/Syby ] [已完結]win7旗艦版裝DS出現(xiàn)問題 (7/2460)	cecilia533 2011-05-03	2011-07-20 23:22:01 by chemozhang
	[MS] [已完結]discover 模塊不能優(yōu)化 (5/1289)	qiaobo 2011-07-06	2011-07-20 23:17:27 by fyy0210
	[MS] [已完結]Amorphous Cell 中Construction 一個分子為什么Add成兩個？ (1/372)	njust05 2011-07-20	2011-07-20 12:20:00 by njust05
	[MS] [已完結]求助：MS中如何找?guī)缀沃行?/a> (0/1181)	zhang727626 2011-07-20	2011-07-20 09:47:20 by zhang727626
	[Monte C ] [已完結][關貼]蒙特卡羅模擬汽液、液液的相平衡 (2/448)	kecy 2011-07-19	2011-07-19 17:11:40 by ghcacj
	[ME/Gulp] [已完結]求教程 (1/635)	朱雪婷 2011-05-06	2011-07-19 09:11:57 by 望月秦淮
	[已完結]查找文獻 (0/107)	wangyudany 2011-07-18	2011-07-18 10:21:53 by wangyudany
	[其他] [已完結]在chem 3D 中測量分子長度！ (0/1469)	ryan999 2011-07-18	2011-07-18 00:43:30 by ryan999
	[Gromacs ] [已完結]Gromacs 中 PME 的用法 (5/1965)	ruthxu 2011-07-14	2011-07-17 09:53:03 by ruthxu
	[LAMMPS/ ] [已完結]DL_POLY中rdf的參數(shù)設置 (2/467)	高學劍 2011-04-22	2011-07-17 08:30:41 by 高學劍
	[已完結][關貼]量化新手求解答 (0/159)	kidd1986 2011-07-16	2011-07-16 21:54:24 by kidd1986
	[MS] [已完結][關貼]求Tf2N的key文件 (0/154)	zxl523 2011-07-16	2011-07-16 18:15:06 by zxl523
	[DS/Syby ] [已完結]autodock生成dlg文件的時候出現(xiàn)的錯誤。要怎么修改參數(shù) (0/1432)	wqx1990 2011-07-15	2011-07-15 22:38:21 by wqx1990
	[LAMMPS/ ] [已完結]有關用md做mofs材料吸附動力學的問題 (1/743)	ldf831206 2011-04-19	2011-07-15 20:12:39 by huanghl2010
	[其他] [已完結]初始溫度對模擬結果的影響 (1/581)	kelly612 2011-07-13	2011-07-15 11:20:53 by gavinliu7390
	[Gromacs ] [已完結]linux下CURVES軟件的安裝 (0/168)	ww5945 2011-07-15	2011-07-15 11:08:18 by ww5945
	[Gromacs ] [已完結]AMBER添加水分子 (0/847)	zhulijuan001 2011-07-15	2011-07-15 10:53:04 by zhulijuan001
	[其他] [已完結]Qsite program這是什么程序 (5/646)	量化新手 2011-07-07	2011-07-15 09:03:55 by 量化新手
	[MS] [已完結]徑向分布函數(shù)隨溫度和壓力的變化趨勢 (1/954)	紅精靈 2011-07-12	2011-07-15 01:30:15 by fcenf
	[Monte C ] [已完結]急求哪種軟件能用于模擬薄膜生長 (1/1028)	ljhlj 2011-07-14	2011-07-14 22:22:20 by zyj8119
	[MS] [已完結]MS DPD粗�；� 珠子定義 (0/1121)	B4-449 2011-07-14	2011-07-14 21:38:10 by B4-449
	[Gromacs ] [已完結]Amber 可以并行計算嗎？ (2/675)	vallen 2011-07-13	2011-07-14 18:41:38 by gromacs
	[其他] [已完結]兩分子，固定分子中原子所在平面，VMD (0/258)	天下楓葉 2011-07-14	2011-07-14 17:30:11 by 天下楓葉
	[MS] [已完結]如何用materials studio中的discover分析得到RMSD (2/1390)	2003294070 2011-07-11	2011-07-13 22:36:58 by alphawei
	[LAMMPS/ ] [已完結]DL_POLY 計算自擴散系數(shù) (2/956)	huanghl2010 2011-06-30	2011-07-13 14:28:04 by huanghl2010
	[MS] [已完結]用gulp做界面動力學 (0/402)	amynihao 2011-07-13	2011-07-13 11:45:40 by amynihao
	[其他] [已完結]c++編程薄膜沉積 (0/229)	xjoal 2011-07-13	2011-07-13 02:52:23 by xjoal