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[热点] 小木虫上这么多卖论文的，真有人买论文么？感觉没必要啊 Tide man 2026-08-15 刚刚
[DS/Syby ] [已完结]sybyl 突然出错，请帮忙解决 (1/377) sunmuer 2011-12-27 2011-12-27 12:02:24 by sunmuer
[LAMMPS/ ] [已完结]lammps redhat 5.2 出现的问题向大家求助 (0/307) wenyu4 2011-12-27 2011-12-27 11:54:12 by wenyu4
[MS] [已完结]Discover怎么设定盒子的周期性 (2/423) voleyes 2011-12-13 2011-12-27 11:34:33 by 就是小新
[MS] [已完结]如何使用Materials-Studio中的Polymorph模块 (0/722) qinghuoly 2011-12-25 2011-12-25 14:23:19 by qinghuoly
[MS] [已完结]磷酸根Discovery (0/443) beanundersky 2011-12-24 2011-12-24 21:58:19 by beanundersky
[MS] [已完结]继续求助！ (3/425) yingwu528 2011-12-16 2011-12-24 14:21:35 by yingwu528
[DS/Syby ] [已完结]各位高手，求助阿戈美拉汀两个作用靶点的晶体结构或模建结构。 (1/508) 记忆中的单车 2011-12-24 2011-12-24 10:44:54 by 双子座的我A
[Gromacs ] [已完结]FATAL ERROR: force not a vector (0/326) dreamtiger 2011-12-24 2011-12-24 09:45:33 by dreamtiger
[Gromacs ] [已完结]gromacs计算径向分布函数 (2/1982) 明月照清渠 2011-11-29 2011-12-23 20:34:14 by 明月照清渠
[MS] [已完结][关贴]求助分子模拟的问题 (1/323) wsb9696 2011-12-15 2011-12-23 18:54:07 by panlihong
[DS/Syby ] [已完结]同源模建 (5/1307) lmzxcom1 2011-11-28 2011-12-23 10:10:38 by tudoudigua
[Gromacs ] [已完结]模拟退火是在真空中还是水中 (2/791) xiaoyingw 2011-12-22 2011-12-23 09:07:16 by xiaoyingw
[MS] [已完结]discover最小化时，键参数缺失，该怎么设置？ (6/1622) 牧石 2011-12-22 2011-12-22 21:24:55 by 牧石
[其他] [已完结]求助，XLOGP3的安装，非常感谢 (0/934) PSA 2011-12-22 2011-12-22 16:59:06 by PSA
[Gromacs ] [已完结]求Gromacs中Glycam力场数据包。。非常感谢 (模拟EPI+1)(5/3604) 陈应广 2011-12-19 2011-12-22 12:53:10 by shengxiang
[CPMD/CP ] [已完结]四方相晶格，化学键少一个，是怎么回事？ (1/520) qipengos 2011-12-21 2011-12-22 09:55:24 by qipengos
[Gromacs ] [已完结]NAMD分子体系平衡和分子动力学模拟    ( 1 2 ) (10/1965) iovvoi 2011-12-20 2011-12-22 09:18:10 by 476992939
[DS/Syby ] [已完结]GOLD对接，得分是越高越好还是越低越好 (1/2811) cfmzxf84 2011-12-13 2011-12-21 15:35:45 by ky96998
[其他] [已完结]求助：asymptotic fit 是什么，用什么软件，怎么做？ (0/267) tangss1981 2011-12-21 2011-12-21 12:35:29 by tangss1981
[LAMMPS/ ] [已完结]运行并行lammps时出错，请帮忙看看 (1/696) issp-hao 2011-12-20 2011-12-21 09:29:59 by zsjan
[DS/Syby ] [已完结]autogrid 运行出错 (2/537) huangyannicole 2011-12-01 2011-12-21 08:02:56 by arthurii
[DS/Syby ] [已完结]autogrid出错，没能完成 (8/1862) laolu86 2011-12-03 2011-12-21 08:00:03 by arthurii
[Gromacs ] [已完结]grid命令的使用？ (0/241) zhulijuan001 2011-12-20 2011-12-20 21:05:34 by zhulijuan001
[其他] [已完结]modeller distance matrix: (0/247) roberttuohai 2011-12-20 2011-12-20 17:34:33 by roberttuohai
[专家会诊] [已完结]openmpi1.3.3版本并行之后，程序运行变的比单机还慢？ (0/696) xk6891 2011-12-20 2011-12-20 15:50:58 by xk6891
[MS] [已完结]请教如何优化纳米线和金属电极之间的距离 (1/347) xiongxiong5712 2011-12-19 2011-12-20 15:27:22 by xiongxiong5712
[LAMMPS/ ] [已完结]analytical bond-order interatomic potential (0/538) wangyujia 2011-12-20 2011-12-20 10:23:38 by wangyujia
[MS] [已完结]MS Forcite plus//刚体优化 (3/1415) tonghuadream 2011-08-19 2011-12-19 11:12:13 by xujc1983
[Gromacs ] [已完结]spatial solvent density distribution的计算 (0/221) zhulijuan001 2011-12-19 2011-12-19 10:39:25 by zhulijuan001
[MS] [已完结]帮我下个CIF文件 (1/402) hunter2010 2011-12-18 2011-12-19 08:03:51 by blue_cat
[MS] [已完结]如何选择功能单体 (1/329) lypharmacy 2011-11-22 2011-12-19 07:57:08 by 漫慢
[MS] [已完结]MS团簇建模 (5/1186) qujinfeng 2011-11-14 2011-12-18 22:42:49 by 流星雨
[MS] [已完结]MS中的复制粘贴 (1/1819) sqbin0615 2011-12-16 2011-12-18 22:16:03 by 流星雨
[Gromacs ] [已完结][关贴]跑SMD过程中，分子已经拉出表面5nm结果力的大小还在波动会有什么原因？ (4/751) 草莓米粑 2011-12-15 2011-12-18 21:25:31 by 草莓米粑
[专家会诊] [已完结]MS中synthia模块计算表面张力 (0/567) ruthxu 2011-12-17 2011-12-17 11:24:28 by ruthxu
[LAMMPS/ ] [已完结]我这样运行LAMMPS软件中自带的例子有错误吗？ (6/2823) xiexiaojiang 2011-12-05 2011-12-16 14:43:37 by niliu
[其他] [已完结]molecular opertating environment 使用说明及软件下载 (0/401) sunmuer 2011-12-16 2011-12-16 14:27:25 by sunmuer
[MS] [已完结]求助：ms安装问题 (7/1422) yingwu528 2011-12-16 2011-12-16 14:11:17 by yingwu528
[MS] [已完结]模拟分子筛吸附，需要用哪些实验数据 (1/856) premonkey 2011-12-13 2011-12-16 13:34:57 by zyj8119
[专家会诊] [已完结][关贴]XP上MS 4.2,卸载之后再安装MS4.4，能安装成功，但计算时一直running (1/463) 流星雨 2011-12-15 2011-12-16 11:01:57 by 流星雨
[MS] [已完结]求助：吸附量问题 (1/329) 061302102 2011-12-15 2011-12-15 23:08:21 by zyj8119
[LAMMPS/ ] [已完结]DL_Poly中控温控压算法中的迭代问题 (0/290) Jianyi_Liu 2011-12-15 2011-12-15 15:29:50 by Jianyi_Liu
[Gromacs ] [已完结]VMD观看Amber MD模拟结果的疑问？ (1/891) jackyma 2011-12-12 2011-12-15 13:05:50 by jackyma
[MS] [已完结]氨基酸溶度参数 (0/609) liuyusuc 2011-12-15 2011-12-15 13:01:00 by liuyusuc
[其他] [已完结]molecular opertating environment 使用说明及软件下载 (0/291) sunmuer 2011-12-15 2011-12-15 12:13:21 by sunmuer
[MS] [已完结]求助一下磷酸分子的直径多大？在线 (1/1747) liyc 2011-10-28 2011-12-15 10:59:54 by liyc
[专家会诊] [已完结]请教关于用SW potential求硅晶体弹性常数C44 (0/694) applefish 2011-12-15 2011-12-15 10:43:15 by applefish
[MS] [已完结]Dmol3关于orbitals计算 (2/1040) lavinia 2011-12-10 2011-12-15 08:54:21 by lavinia
[DS/Syby ] [已完结]求助进行蛋白质分子缺失残基修补 (0/1596) zhugezilong 2011-12-14 2011-12-14 15:44:18 by zhugezilong
[MS] [已完结]请问跑dynamics时的NPT系统压力问题 (0/353) pinkrose 2011-12-14 2011-12-14 14:50:50 by pinkrose
[MS] [已完结]forcite-analysis NVT 定容热容Cv的计算结果和自己手算的差别很大，为什么？ (0/705) pinkrose 2011-12-14 2011-12-14 12:03:35 by pinkrose
[MS] [已完结]MS导出文件有错误，求助！ (0/491) 高学剑 2011-12-14 2011-12-14 11:26:26 by 高学剑
[MS] [已完结]MS4.3安装求助，非常急！谢谢大家帮助！ (2/440) 高学剑 2011-12-13 2011-12-14 10:40:57 by 高学剑
[其他] [已完结]晶格动力学模拟 (6/1487) hero0421 2011-06-26 2011-12-14 00:04:32 by lei0736
[MS] [已完结]建模 (0/381) hunter2010 2011-12-13 2011-12-13 23:48:17 by hunter2010
[MS] [已完结]二苯并噻吩晶胞结构 (0/330) 落雨辰砂 2011-12-13 2011-12-13 15:35:10 by 落雨辰砂
[Gromacs ] [已完结]73 atoms are not part of any of the T-Coupling groups (2/2787) 蓝紫色玻璃心 2011-12-12 2011-12-13 11:29:42 by 蓝紫色玻璃心
[MS] [已完结]建立BiNaTiO3晶胞 (0/412) erming20000 2011-12-13 2011-12-13 10:25:07 by erming20000
[Gromacs ] [已完结]VMD distance distribution 脚本中的一个问题 (4/769) xiaoyingw 2011-12-12 2011-12-13 08:56:07 by xiaoyingw
[专家会诊] [已完结]求助聚苯乙烯成键问题 (0/489) zhjj505 2011-12-12 2011-12-12 17:44:23 by zhjj505
[MS] [已完结]询问离子液体在水中的密度问题    ( 1 2 ) (10/2038) zxl523 2011-11-03 2011-12-12 16:29:55 by feixiang8131
[其他] [已完结]初学者请高手指教PBS作业脚本怎么写？ (0/391) tjuns 2011-12-12 2011-12-12 16:03:49 by tjuns
[Gromacs ] [已完结]Gromacs算了水盒子的能量最小化总是出错啊。。。。 (1/663) plafalines 2011-12-06 2011-12-11 21:04:38 by jiaoyixiong
[其他] [已完结]想问一下：用什么软件可以做小分子在蛋白结构中的运动视频？ (6/1643) pkuchemistry 2011-10-31 2011-12-10 14:17:55 by pkuchemistry
[MS] [已完结]如何建立周期性模型？ (1/1443) may_gloomy 2011-12-08 2011-12-10 10:50:12 by 0506nan
[MS] [已完结]求高人指点，Dmol3优化失败，不知道是哪里出错了 (3/1748) yaohuichao 2011-12-05 2011-12-10 01:36:47 by markmao09
[MS] [已完结]晶习预测中附着能的计算遇到问题 (0/887) xiejuan123 2011-12-09 2011-12-09 17:33:38 by xiejuan123
[DS/Syby ] [已完结]如何将.cdx变成真正的mol2格式？ (2/1556) shouling 2011-12-05 2011-12-09 15:14:11 by chf220284
[MS] [已完结]MS中smearing的值是如何定义的？ (0/2063) rdw00 2011-12-09 2011-12-09 10:43:43 by rdw00
[Gromacs ] [已完结]gromacs 跑 tutor，结果好奇怪哦 (1/399) mqq123456789 2011-12-07 2011-12-08 19:26:56 by jiaoyixiong
[MS] [已完结]我的Materials Studio怎么装不了license啊，具体怎么装啊 (2/1993) zhu3san 2011-11-23 2011-12-08 16:59:45 by doudou3073
[专家会诊] [已完结]grompp正常，mdrun出现集合缺省错误？？？？ (0/248) astringent 2011-12-08 2011-12-08 16:38:24 by astringent
[DS/Syby ] [已完结]新手求助：Sybyl中R2值多少算过拟合啊 (3/1651) win雨 2011-10-22 2011-12-08 16:28:52 by 单志杰
[MS] [已完结][关贴]求助：如何建立高岭土分子模型？ (2/1152) cumt111 2011-12-04 2011-12-08 11:34:58 by may_gloomy
[Gromacs ] [已完结]pull-code groamcs 算不了 (2/463) jackwangee 2011-11-20 2011-12-08 10:18:33 by jackwangee
[CPMD/CP ] [已完结]求Ti的赝势基组 (4/890) jiji851 2011-10-21 2011-12-07 20:44:50 by meixinqing
[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 (0/277) 好一颗大头菜 2011-12-07 2011-12-07 14:41:52 by 好一颗大头菜
[Monte C ] [已完结]monte carlo 汽液相平衡 (0/294) 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 (7/3497) 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 (2/433) 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 (0/324) 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 (2/476) 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 (1/1034) 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？ (0/265) dyj625 2011-12-05 2011-12-05 22:47:59 by dyj625
[LAMMPS/ ] [已完结]npt系综 (0/453) 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 (0/407) 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？ (4/2214) 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 (0/787) 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？ (2/1132) 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？ (0/277) lgb2008 2011-12-04 2011-12-04 19:33:12 by lgb2008
[DS/Syby ] [已完结]sybyl-x中topomer comfa 里结果的components大了好不好？ (1/529) 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 ) (11/4899) nnipp 2011-11-29 2011-12-02 16:52:47 by fmtzhangli
[LAMMPS/ ] [已完结][关贴]请教lammps安装问题。 (0/481) 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 (1/434) 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 (2/467) 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？ (0/317) caijj09 2011-12-02 2011-12-02 10:08:22 by caijj09
[LAMMPS/ ] [已完结]重装lammps出现问题。 (2/588) mooninsky 2011-11-27 2011-12-02 09:44:53 by mooninsky
[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？ (3/1472) 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 (1/661) 学员47rhRc 2011-11-29 2011-12-02 08:15:59 by rzhheart
[MS] [已完结]耗散粒子动力学进行蛋白质的粗粒化的模拟 (1/545) liuyusuc 2011-12-01 2011-12-01 17:42:43 by tianlangxingaa
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