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[热点] 最失望的一年 老年副高的关门� 2026-01-23 刚刚
[MS] [已完结][关贴]求助分子模拟的问题 (1/270) wsb9696 2011-12-15 2011-12-23 18:54:07 by panlihong
[DS/Syby ] [已完结]同源模建 (5/1109) 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 (2/700) 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？ (6/1295) 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 (0/837) 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)(5/3252) 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？ (1/423) 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 ) (10/1636) 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 (1/2738) 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？ (0/207) 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 (1/614) issp-hao 2011-12-20 2011-12-21 09:29:59 by zsjan
[DS/Syby ] [已完结]autogrid 运行出错 (2/458) huangyannicole 2011-12-01 2011-12-21 08:02:56 by arthurii
[DS/Syby ] [已完结]autogrid出错，没能完成 (8/1616) laolu86 2011-12-03 2011-12-21 08:00:03 by arthurii
[Gromacs ] [已完结]grid命令的使用？ (0/201) zhulijuan001 2011-12-20 2011-12-20 21:05:34 by zhulijuan001
[其他] [已完结]modeller distance matrix: (0/193) 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？ (0/614) 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 (1/265) xiongxiong5712 2011-12-19 2011-12-20 15:27:22 by xiongxiong5712
[LAMMPS/ ] [已完结]analytical bond-order interatomic potential (0/499) wangyujia 2011-12-20 2011-12-20 10:23:38 by wangyujia
[MS] [已完结]MS Forcite plus//刚体优化 (3/1269) tonghuadream 2011-08-19 2011-12-19 11:12:13 by xujc1983
[Gromacs ] [已完结]spatial solvent density distribution的计算 (0/177) zhulijuan001 2011-12-19 2011-12-19 10:39:25 by zhulijuan001
[MS] [已完结]帮我下个CIF文件 (1/338) 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 (1/278) lypharmacy 2011-11-22 2011-12-19 07:57:08 by 漫慢
[MS] [已完结]MS团簇建模 (5/1073) 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 (1/1763) 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？ (4/602) 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 (0/533) 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？ (6/2503) 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 (0/310) sunmuer 2011-12-16 2011-12-16 14:27:25 by sunmuer
[MS] [已完结]求助：ms安装问题 (7/1143) 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 (1/760) 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 (1/367) 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 (1/277) 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 (0/233) 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？ (1/735) jackyma 2011-12-12 2011-12-15 13:05:50 by jackyma
[MS] [已完结]氨基酸溶度参数 (0/558) 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 (0/236) 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 (1/1668) 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 (0/645) applefish 2011-12-15 2011-12-15 10:43:15 by applefish
[MS] [已完结]Dmol3关于orbitals计算 (2/871) 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 (0/1525) 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 (0/306) 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？ (0/667) 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！ (0/435) 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！ (2/370) 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 (6/1305) hero0421 2011-06-26 2011-12-14 00:04:32 by lei0736
[MS] [已完结]建模 (0/328) 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 (0/295) 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 (2/2658) 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 (0/376) 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 (4/601) 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 (0/416) 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 ) (10/1662) 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？ (0/323) 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。。。。 (1/588) 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？ (6/1367) 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？ (1/1374) 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 (3/1554) 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 (0/845) 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？ (2/1463) 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？ (0/2031) 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 (1/304) 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 (2/1890) 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？？？？ (0/198) 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 (3/1518) 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？ (2/1088) cumt111 2011-12-04 2011-12-08 11:34:58 by may_gloomy
[Gromacs ] [已完结]pull-code groamcs 算不了 (2/384) jackwangee 2011-11-20 2011-12-08 10:18:33 by jackwangee
[CPMD/CP ] [已完结]求Ti的赝势基组 (4/782) 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 (0/237) 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 (0/260) 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 (7/2846) 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 (2/378) 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 (0/294) 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 (2/400) 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 (1/964) 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？ (0/235) dyj625 2011-12-05 2011-12-05 22:47:59 by dyj625
[LAMMPS/ ] [已完结]npt系综 (0/415) 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 (0/368) 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？ (4/1974) 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 (0/742) 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？ (2/1052) 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？ (0/235) 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？ (1/481) 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 ) (11/4461) 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。 (0/423) 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 (1/379) 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 (2/421) 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？ (0/281) caijj09 2011-12-02 2011-12-02 10:08:22 by caijj09
[LAMMPS/ ] [已完结]重装lammps出现问题。 (2/486) 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？ (3/1225) 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 (1/609) 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 (1/501) 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 (1/697) 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？ (2/671) 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 (3/456) 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 ) (14/3929) zhhb1987 2011-11-14 2011-12-01 16:10:10 by markmao09
[DS/Syby ] [已完结]同源模建求助 (2/472) 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? (0/539) 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！！！ (7/1833) 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 (0/977) xinji 2011-12-01 2011-12-01 09:51:57 by xinji
[Gromacs ] [已完结]模拟两物质反应时，需考虑哪些因素 (1/285) xinji 2011-11-27 2011-11-30 23:39:15 by thudch
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