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[热点] 售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急 pwtWF7Qmx6Jw 2026-11-03 刚刚
[Gromacs ] [已完结]pull-code groamcs 算不了 (2/497) jackwangee 2011-11-20 2011-12-08 10:18:33 by jackwangee
[CPMD/CP ] [已完结]求Ti的赝势基组 (4/933) jiji851 2011-10-21 2011-12-07 20:44:50 by meixinqing
[LAMMPS/ ] ERROR:Illegal mass command 和 Incorrect atgs for pair coefficients (0/446) zpl1986 2011-12-07 2011-12-07 16:12:23 by zpl1986
[LAMMPS/ ] [已完结]急求一篇含有s-w势函数或者是t-b势函数的文献 (0/291) 好一颗大头菜 2011-12-07 2011-12-07 14:41:52 by 好一颗大头菜
[MS] 我想问下大家分子模拟这类专业毕业了可以干些什么啊 (8/2813) dgjjkycg 2011-11-17 2011-12-07 10:33:00 by doudou3073
[Monte C ] [已完结]monte carlo 汽液相平衡 (0/313) 如水.101 2011-12-07 2011-12-07 10:30:33 by 如水.101
[MS] [已完结]DMol3 Calculation遇到的初级问题,求解答 (7/3741) premonkey 2011-11-29 2011-12-07 10:00:33 by doudou3073
[MS] [已完结]想知道包含二十个碳原子的碳团簇中各个碳原子的坐标 (2/489) xingxiao 2011-11-30 2011-12-06 22:06:28 by beefly
[专家会诊] [已完结]想请教一下,纳米级的四氧化三铁粒子的布朗平均运动速度大概在哪个数量级 (0/337) 水到渠成 2011-12-06 2011-12-06 22:01:37 by 水到渠成
[Gromacs ] [已完结]求gromacs 4.0.5 软件 (2/497) xinji 2011-12-01 2011-12-06 12:20:52 by xinji
[LAMMPS/ ] [已完结]用DL_POLY模拟水分子在金属表面的吸附,一团水分子都延着真空层跑到很远 (1/1063) voleyes 2011-12-05 2011-12-06 09:16:16 by chaizhm
[MS] [已完结]如何求构建的amorphous cell优化后的密度? (0/294) dyj625 2011-12-05 2011-12-05 22:47:59 by dyj625
[LAMMPS/ ] [已完结]npt系综 (0/471) luxiuming 2011-12-05 2011-12-05 16:59:18 by luxiuming
[MS] [已完结]染料在表面活性剂水溶液中吸附模拟 (0/429) penpen966922 2011-12-05 2011-12-05 12:14:31 by penpen966922
[LAMMPS/ ] [已完结]金属Pt和C,O,H,原子的之间的相互作用用什么势来描述? (4/2357) voleyes 2011-12-02 2011-12-05 11:59:13 by valenhou001
[DS/Syby ] [已完结]请大家帮我解决一下一个对接后出现了unable to find necessnary files 的问题 (0/805) shouling 2011-12-05 2011-12-05 10:43:59 by shouling
[LAMMPS/ ] [已完结]怎么把Lammps软件自带的例子导入Lammps软件中去? (2/1179) xiexiaojiang 2011-12-02 2011-12-05 09:51:48 by chaizhm
[MS] [已完结]请问static harmonic well approximation什么意思? (0/302) lgb2008 2011-12-04 2011-12-04 19:33:12 by lgb2008
[LAMMPS/ ] fix ave/spatial density/mass (1/1030) lijun_255001 2011-11-26 2011-12-04 09:42:59 by xunbao15
[DS/Syby ] [已完结]sybyl-x中topomer comfa 里结果的components大了好不好? (1/556) liaibo 2011-12-03 2011-12-04 00:49:41 by liaibo
[Gromacs ] [已完结]VMD 动态成键 如何定义成断键    ( 1 2 ) (11/5146) nnipp 2011-11-29 2011-12-02 16:52:47 by fmtzhangli
[其他] 欢迎投票评选计算模拟区我最喜爱的管理员 (0/256) cenwanglai 2011-12-02 2011-12-02 15:38:23 by cenwanglai
[LAMMPS/ ] [已完结][关贴]请教lammps安装问题。 (0/511) 李学忠 2011-12-02 2011-12-02 12:42:47 by 李学忠
[Gromacs ] [已完结]水分子的添加 (1/477) 蓝紫色玻璃心 2011-12-02 2011-12-02 11:46:55 by jiaoyixiong
[MS] [已完结]哪位做离子液体分子结构模拟 (2/508) dandin 2011-12-01 2011-12-02 10:14:42 by dandin
[MS] [已完结]怎么查找力场方面的文献? (0/341) caijj09 2011-12-02 2011-12-02 10:08:22 by caijj09
[LAMMPS/ ] [已完结]重装lammps出现问题。 (2/630) mooninsky 2011-11-27 2011-12-02 09:44:53 by mooninsky
[专家会诊] 如何使用chimera显示酶空腔,空腔中小分子与酶之间的相互作用? (0/876) zhouzz 2011-12-02 2011-12-02 08:50:40 by zhouzz
[MS] [已完结]模拟得到的能量单位为kcal/mol,实验结果单位为KJ,如何比较? (3/1567) tlger 2011-11-29 2011-12-02 08:43:47 by xuzexiao
[MS] [已完结]40金币求助用MS模拟计算金属元素的扩散系数 (1/700) 学员47rhRc 2011-11-29 2011-12-02 08:15:59 by rzhheart
[其他] 一路平安! (2/620) hshxs 2011-12-01 2011-12-01 22:27:53 by shun0021
[MS] [已完结]耗散粒子动力学进行蛋白质的粗粒化的模拟 (1/579) liuyusuc 2011-12-01 2011-12-01 17:42:43 by tianlangxingaa
[Gromacs ] [已完结]使用耗散粒子动力学对于蛋白质静电自组装的模拟 (1/793) liuyusuc 2011-11-30 2011-12-01 17:42:33 by tianlangxingaa
[DS/Syby ] [已完结]SYBYL X1.2下对接后如何观察H-bond的键长与键角? (2/852) icedreamer 2011-09-05 2011-12-01 16:51:35 by 夏天的鱼
[其他] [已完结][关贴]Pr、Nd的LDA赝势求助 (3/587) zsl_321123 2011-11-18 2011-12-01 16:34:46 by zsl_321123
[MS] [已完结]MS-dmol3电荷密度分析    ( 1 2 ) (14/4616) zhhb1987 2011-11-14 2011-12-01 16:10:10 by markmao09
[DS/Syby ] [已完结]同源模建求助 (2/647) cpuzzx 2011-11-30 2011-12-01 15:55:32 by cpuzzx
[其他] [已完结]请问哪里能下载in文件? (0/595) jane8556 2011-12-01 2011-12-01 15:16:33 by jane8556
[DS/Syby ] [已完结]谁有SYBYL-X-2.0.0.11273-Windows-Setup.exe?请共享一下,感激不尽!!! (7/2169) choy 2011-11-28 2011-12-01 13:52:02 by hcw7210
[Gromacs ] [已完结]gromacs中怎么做扩散系数随盒子某一长度的变化图 (0/1045) xinji 2011-12-01 2011-12-01 09:51:57 by xinji
[Gromacs ] gromacs中温度,系综求助 (0/943) astringent 2011-12-01 2011-12-01 06:50:56 by astringent
[Gromacs ] [已完结]模拟两物质反应时,需考虑哪些因素 (1/375) xinji 2011-11-27 2011-11-30 23:39:15 by thudch
[DS/Syby ] [已完结]GOLD对接好了配体和受体后怎么查看氢键,以及导出问题 (2/767) cfmzxf84 2011-11-30 2011-11-30 17:06:07 by cfmzxf84
[DS/Syby ] [已完结]windows7 系统 安装sybylx1.1后 Fugue run 的结果不能导入 (2/505) 郝明 2011-11-29 2011-11-30 16:12:04 by wohaihao
[LAMMPS/ ] [已完结]求助 (0/224) luxiuming 2011-11-30 2011-11-30 15:38:07 by luxiuming
[其他] [已完结][关贴]由对硝基苯酚的范德华半径,计算单个分子平铺所占的面积。 (0/376) q1wert5 2011-11-30 2011-11-30 14:52:00 by q1wert5
[其他] [关贴]最后一天作为分子模拟版主,疯狂散金    ( 1 2 3 4 5 6 .. 15 ) (评阅+20) (707/11276) ghcacj 2011-11-30 2011-11-30 12:23:39 by wwwzheng
[LAMMPS/ ] 【求助】急!急!安装VMD成功后,无法启动 (8/2277) amynihao 2011-03-22 2011-11-30 10:17:26 by mooninsky
[MS] [已完结]MS求助 (2/337) 717414324 2011-11-21 2011-11-30 10:15:46 by tlger
[Gromacs ] [已完结]gromacs单点能运行不下去 (0/1029) astringent 2011-11-30 2011-11-30 07:46:08 by astringent
[Gromacs ] [已完结]gromacs做单点能出错 (0/1062) astringent 2011-11-30 2011-11-30 07:38:21 by astringent
[Gromacs ] [已完结]为什么N-H键读不出来? (0/386) memgr 2011-11-29 2011-11-29 20:27:01 by memgr
[MS] [已完结]静电密度图怎么做 (0/366) 我是丫头 2011-11-29 2011-11-29 20:24:51 by 我是丫头
[Gromacs ] [已完结]【求助】有做含血红素的童鞋吗?求教啊…… (0/426) muniu 2011-11-29 2011-11-29 19:13:47 by muniu
[MS] [已完结]关于能量单位kcal/mol的疑惑    ( 1 2 ) (10/3969) tlger 2011-11-28 2011-11-29 19:04:42 by gebitingqin
[其他] 求薛定谔达人 (0/482) wxwsunny87 2011-11-29 2011-11-29 17:06:34 by wxwsunny87
[LAMMPS/ ] [已完结][关贴]在LAMMPS中怎么建立图示的模型 (6/3063) Tower.Tsu 2011-09-15 2011-11-29 17:02:35 by Tower.Tsu
[Gromacs ] [已完结]mdrun出错,求帮助 (1/535) zhongyunxia 2011-11-28 2011-11-29 16:33:57 by zhongyunxia
[Gromacs ] [已完结]哪位好心人告知我 液晶的转变温度 如何预测?贡献全部金币 (3/1665) luckgo 2011-10-31 2011-11-29 15:36:22 by polymeryang
[MS] [已完结]分子模拟 (1/372) 717414324 2011-11-29 2011-11-29 13:27:05 by chaizhm
[MS] [已完结]material studio linux版不能安装在一般台式机上吗 (2/623) 月下冰魂 2011-11-21 2011-11-29 10:11:41 by future_wl
[LAMMPS/ ] [已完结]在模拟金属表面吸附时,如果把金属固定住,那还需要对金属用多体势吗? (4/1507) voleyes 2011-11-26 2011-11-29 07:45:50 by gulin98
[其他] [已完结]【求受体和小分子相互作用的经典英文文献】 (0/216) 肥鸡跳舞 2011-11-28 2011-11-28 22:14:47 by 肥鸡跳舞
[其他] [已完结]ligplot确定残基范围 (3/1441) win雨 2011-11-27 2011-11-28 21:36:00 by houxuben
[Gromacs ] [已完结]gromacs 试运行错误 (1/730) kingfz 2011-11-15 2011-11-28 21:20:18 by jiaoyixiong
[CPMD/CP ] [已完结][关贴]CP2K 跑 MD 为什么分子跑到了周期性格子外面 (5/2835) nnipp 2011-11-27 2011-11-28 16:20:55 by nnipp
[DS/Syby ] [已完结]PDB蛋白库 (2/801) muye1001 2011-11-28 2011-11-28 16:20:01 by iconsdkxq7
[MS] [已完结]如何通过模拟计算葡萄糖分子的分子大小 (2/1585) happyooo 2011-11-26 2011-11-28 14:43:20 by chaizhm
[ME/Gulp] [已完结]ME 计算结果的分析 (1/576) Fly_2010 2011-11-24 2011-11-28 10:31:06 by Fly_2010
[CPMD/CP ] 请玩cp2k的大侠们看过来! (2/1411) ewan 2011-11-27 2011-11-28 10:05:00 by ewan
[Gromacs ] [已完结]gmx不认小分子PDB残基怎么办?? (4/1907) astringent 2011-11-25 2011-11-28 08:38:58 by jawang
[DS/Syby ] [已完结]添加氨基酸残基 (7/2071) lmzxcom1 2011-11-25 2011-11-28 08:35:06 by jawang
[Gromacs ] [已完结]PME 和 Cut-off 的区别 (0/1563) yiran870804 2011-11-27 2011-11-27 19:43:42 by yiran870804
[DS/Syby ] [已完结]GOLD分子对接的fitness得分以及氢键怎么设置 (0/432) cfmzxf84 2011-11-27 2011-11-27 18:03:44 by cfmzxf84
[其他] DPD 关于粒子数密度的取值 (3/1685) yuelingxiao 2011-11-24 2011-11-27 17:11:23 by yahoohoo
[LAMMPS/ ] Polystyrene在不同温度下的弛豫 (0/611) zhjj505 2011-11-26 2011-11-26 15:31:18 by zhjj505
[Gromacs ] [已完结]怎样作有外场的蛋白质动力学模拟? (1/475) xianweiwang 2011-11-25 2011-11-25 23:14:44 by wally8962
[DS/Syby ] [已完结]求助如何在DS2.5中分析Standard Dynamics Cascade结果! (5/1251) leirongjian 2011-09-24 2011-11-25 14:25:56 by leirongjian
[Monte C ] [已完结]SORPTION能够得到能量分布曲线,但是对于MOF簇模型的这种能量分布图是怎么得到的?    ( 1 2 ) (17/2268) zyj8119 2011-11-19 2011-11-25 13:23:47 by zyj8119
[DS/Syby ] [已完结][关贴]部分优化 (1/397) 家强 2011-11-24 2011-11-25 10:37:46 by 家强
[DS/Syby ] [已完结]着急:08年装的盗版的sybyl7.3,现在突然license不能用了,求盗版的sybyl8.0活x版 (3/799) az123 2011-11-17 2011-11-25 10:04:13 by 绿茶QJM
[DS/Syby ] [已完结]Modeling 3D Pharmacophores (2/416) sunmuer 2011-11-24 2011-11-25 09:09:04 by sunmuer
[Gromacs ] [已完结]rtp不对,请各位纠错! (0/319) zhongyunxia 2011-11-24 2011-11-24 20:55:13 by zhongyunxia
[LAMMPS/ ] [已完结]温度越高晶格常数却越低,是怎么回事? (1/2064) dingfengbo 2011-11-04 2011-11-24 18:45:30 by huai
[其他] [关贴]超算中心合作交流 (5/1477) halfeng 2011-11-19 2011-11-24 16:27:46 by markmao09
[其他] [已完结]狭缝中汽液相变的分子动力学模拟 (3/1325) 诗意栖居 2011-11-23 2011-11-24 13:04:46 by dda_358
[MS] [已完结]MS求助 (8/864) 717414324 2011-11-15 2011-11-24 11:11:43 by 717414324
[MS] [已完结]求助MS 模块中,哪个模块可以计算吸附动力学及吸附焓? (6/2141) 2006201619 2011-11-15 2011-11-24 08:52:06 by 2006201619
[MS] [已完结]MS安装后出现的几个错误该怎样解决 (8/1508) longwei1221 2011-11-10 2011-11-23 22:54:48 by kuner
[LAMMPS/ ] [已完结]DL_POLY4的编译问题 (2/719) Jianyi_Liu 2011-10-11 2011-11-23 20:37:49 by shzhu
[Gromacs ] [已完结]急!mol2转化为pdb后结构不对 (1/867) zhongyunxia 2011-11-21 2011-11-23 19:33:51 by tenkou
[Gromacs ] [已完结]求:用chem3D画1.2.3.苯三酚! (1/418) zhongyunxia 2011-11-23 2011-11-23 15:29:59 by blue_cat
[其他] [已完结]请问有没有预测蛋白结构域边界的软件或网站 (0/1768) cpuzzx 2011-11-23 2011-11-23 14:28:32 by cpuzzx
[DS/Syby ] [已完结]请教,为什么我的sybyl准备配体总是出错 (2/528) cfmzxf84 2011-11-22 2011-11-23 10:27:35 by cfmzxf84
[Gromacs ] [已完结]gromacs 运行pdb2gmx中出错,pdb2gmx: error while loading shared libraries (3/1381) piaoluodeyu 2011-11-14 2011-11-23 10:03:07 by zeozhou
[DS/Syby ] [已完结]求DS可以调用的gold程序 (2/531) cfmzxf84 2011-11-22 2011-11-23 09:53:01 by blue_cat
[Gromacs ] [已完结]BF4-的参数设置 (2/384) zln1987 2011-11-07 2011-11-23 09:19:10 by wangding605
[Monte C ] [已完结]Monte Carlo 可以模拟大气分子在空气中的运动吗? (2/476) huangye2001 2011-11-22 2011-11-23 08:30:13 by dda_358
[Gromacs ] [已完结]Gromacs加入溶剂分子数目问题 (2/1191) xinji 2011-11-21 2011-11-22 12:04:43 by jawang
[MS] 允许系统自动生成短文件名,解决MS 安装后不能启动的问题 (评阅+5) (0/350) markmao09 2011-11-22 2011-11-22 11:02:47 by markmao09
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