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[热点] 越来越担心硕士毕业后没有竞争力了 zuesli 2026-10-29 刚刚
[MS] castep 计算水分子弹性模量的结果 好像不对 (评阅+1) (0/1144) xmcyanxh 2014-04-19 2014-04-19 16:41:36 by xmcyanxh
[LAMMPS/ ] 如何精确地计算金属的熔点? (评阅+1) (15/4951) dxblt 2014-04-19 2014-04-19 15:41:05 by dxblt
[MS] [已完结]求建团簇的软件 (评阅+1) (1/454) 飞奔的anta 2014-04-11 2014-04-19 15:31:08 by 溪水永恒
[MS] [已完结][关贴]谁知道MS的脚本在哪下载? (评阅+1) (2/1325) hanhan1020 2014-03-20 2014-04-19 09:10:57 by hanhan1020
[CPMD/CP ] [已完结]求问CP2k能实现单个分子带电而其他分子不带电的模拟么? (评阅+6) (0/988) yym3326 2014-04-19 2014-04-19 05:29:06 by yym3326
[MS] [已完结]能不能发几篇用MS模拟纳米材料的文献阿?? (评阅+1) (0/439) peerlesszjh 2014-04-18 2014-04-18 17:16:24 by peerlesszjh
[MS] [已完结][关贴]千金求真理,如何用分子模拟模拟空心微珠结构? (评阅+1) (4/596) hanhan1020 2014-04-17 2014-04-18 16:37:24 by hanhan1020
[MS] [已完结]用forcite板块儿可以模拟哪些性质阿?怎么算阿?? (1/744) peerlesszjh 2014-04-18 2014-04-18 15:56:14 by 月只蓝
[MS] [已完结]分子动力学和性质疑问? (评阅+1) (5/2099) peerlesszjh 2014-04-17 2014-04-18 15:49:31 by 月只蓝
[LAMMPS/ ] [已完结]一般观察相变,非线性拟合选哪种呢? (评阅+1) (0/305) Ballendtoo 2014-04-18 2014-04-18 15:36:41 by Ballendtoo
[LAMMPS/ ] [已完结]lammps的命令问题~ (评阅+6) (1/423) hgctianqi 2014-04-17 2014-04-18 15:11:42 by hgctianqi
[Gromacs ] [已完结][关贴]如何用pdb的格式的文件生成psf的格式的文件(无机非体系) (评阅+1) (6/2232) xieluxielu 2014-04-09 2014-04-18 14:26:10 by xieluxielu
[MS] Forcite模块计算时无法提交 (评阅+1) (6/2011) 小虫_sang 2014-04-16 2014-04-18 14:08:52 by 小敬11
[Gromacs ] LINCS warnings错误 (2/1662) ilxmc 2013-03-02 2014-04-18 13:35:30 by 水儿CoCo
[其他] [已完结]求助:origin高斯拟合    ( 1 2 ) (10/4475) dream1021 2012-03-19 2014-04-18 13:34:58 by 一鸣1126
[CPMD/CP ] [已完结]CPMD 退火求收敛波函数,总是提示警告,不知道这个提示是什么意思? (评阅+1) (0/658) nature617 2014-04-18 2014-04-18 11:39:28 by nature617
[其他] 【求助】MS中分子动力学计算    ( 1 2 ) (评阅+1) (19/4508) 咖啡喝不醉 2010-10-21 2014-04-18 11:28:06 by 月只蓝
[MS] [已完结]关于CH4在MFI分子筛中的扩散问题 (评阅+1) (2/748) lusostty 2014-04-17 2014-04-18 09:24:44 by lusostty
[Gromacs ] [已完结]【菜鸟求助】gromacs如何计算大分子和小分子间的非共价键力??    ( 1 2 ) (评阅+1) (13/2616) 三木713 2014-03-13 2014-04-18 09:07:56 by 三木713
[已完结]蛋白质三维结构和互作模拟培训 (评阅+1) (2/869) hzau_zsmj 2014-04-11 2014-04-18 00:09:12 by hzau_zsmj
[Gromacs ] [已完结]求助:MD采样过程 (评阅+1) (0/435) 学员ro9TeP 2014-04-17 2014-04-17 21:59:54 by xsjl绿水青山
[其他] [已完结]有谁知道这种图是怎么做的吗 (评阅+1) (1/619) yulilan 2014-04-17 2014-04-17 21:29:16 by fangsteel
[MS] [已完结]硫酸钡晶体分子模拟 (评阅+1) (7/2278) 070244072 2014-04-16 2014-04-17 20:13:24 by 070244072
[其他] 请问tinker6.3可以并行吗? (评阅+1) (0/260) jlsdyac 2014-04-17 2014-04-17 16:28:26 by jlsdyac
[LAMMPS/ ] [已完结]如何用lammps做colloid (评阅+1) (0/338) zhang_jaj 2014-04-17 2014-04-17 15:26:16 by zhang_jaj
[Gromacs ] [已完结][关贴]Gromacs (评阅+1) (1/401) 柯艳萍 2014-04-17 2014-04-17 12:31:11 by jiaoyixiong
[LAMMPS/ ] [已完结]请问在NVT下温度设在300K,阻尼系数多大分子才不会乱跑? (评阅+1) (5/3539) huzi2359 2014-04-11 2014-04-17 10:55:39 by aa2349439
[Gromacs ] [已完结]知道部分关键原子坐标 如何用VMD构建完整晶胞坐标 (评阅+1) (4/2273) cyl001 2014-04-15 2014-04-17 10:45:59 by pigrass
[MS] [已完结]哪位有资源的好心人发下Amber12安装包!!!! (评阅+1) (0/367) 179147112 2014-04-17 2014-04-17 09:43:42 by 179147112
[MS] [已完结]请问Linux版Sybyl-2的安装文件怎么是exe?怎么在linux下安装呢?    ( 1 2 ) (10/2211) alex2000 2012-10-30 2014-04-17 06:07:54 by psfan
[MS] [已完结]用MS能够模拟出某一未经证实的反应过程的反应速率常数以及活化能吗? (评阅+1) (0/460) hujianghuai 2014-04-16 2014-04-16 22:42:08 by hujianghuai
[其他] [已完结]octopus局部赝势过大怎么解决 (评阅+1) (0/544) linjiahe 2014-04-16 2014-04-16 21:48:22 by linjiahe
[LAMMPS/ ] [已完结]关于降温对体积变化的影响 (0/323) Ballendtoo 2014-04-16 2014-04-16 18:33:43 by Ballendtoo
[MS] [已完结]硫酸钡晶体分子模拟 (评阅+1) (1/737) 070244072 2014-04-16 2014-04-16 18:32:30 by 月只蓝
[CPMD/CP ] [已完结]关于赝势的选择 (评阅+1) (6/2449) 向日葵2012 2014-01-15 2014-04-16 18:05:16 by hufeng
[LAMMPS/ ] [已完结]fix ave_spatial命令求助 (评阅+1) (0/283) tim562944200 2014-04-16 2014-04-16 16:02:57 by tim562944200
[MS] [已完结]materials studio(MS)无定型聚合物的建立 (评阅+1) (3/3695) 夏夜cs 2014-04-15 2014-04-16 14:00:51 by pigrass
[LAMMPS/ ] [已完结]lammps怎么做Event driven Molecular Dynamics (EDMD), hard sphere (1/714) zhang_jaj 2014-04-16 2014-04-16 12:53:17 by lsloneil
[LAMMPS/ ] [已完结]fix adapt command命令可否在固定步长修改部分粒子属性 (评阅+1) (0/444) wangyisheng 2014-04-16 2014-04-16 11:01:29 by wangyisheng
[MS] [已完结]ms 弹性模量 (评阅+1) (0/1116) zlx04lxx 2014-04-16 2014-04-16 10:14:24 by zlx04lxx
[MS] [已完结]DPD模块模拟油水表面活性剂时Blends 模块计算 Flory-Huggins 参数问题 (4/1382) aaazty 2013-05-30 2014-04-16 07:58:30 by 王太杨
[MS] [已完结]聚合物晶胞优化 (评阅+1) (1/804) staventchoke 2014-04-13 2014-04-15 18:29:18 by 月只蓝
[MS] [专家] 【建模基础】三层Ni原子 (评阅+13) (模拟EPI+1)(3/1748) pigrass 2014-04-09 2014-04-15 17:26:44 by Happy丘丘
[其他] 【求助】origin几个三维图如何叠在一起 (6/5394) cassie0795 2010-06-18 2014-04-15 16:53:26 by kpingping
[CPMD/CP ] [已完结]截断半径cutoff的设置 (评阅+1) (3/2553) 向日葵2012 2014-03-20 2014-04-15 16:11:06 by 向日葵2012
[MS] [已完结]Discover 急!!! (评阅+1) (1/451) 只开一次的竹 2014-04-15 2014-04-15 13:42:55 by pigrass
[其他] [已完结]分子模拟 (评阅+1) (0/278) guoguojuzi 2014-04-15 2014-04-15 13:16:18 by guoguojuzi
[其他] 【求助】计算固体热膨胀系数 (8/3323) weizhiyong 2010-07-06 2014-04-15 11:31:54 by vs2744590
[专家会诊] [已完结]求教如何用forcite计算描述熔点变化规律的林德曼指数,谢谢! (评阅+1) (0/668) skywyy2011 2014-04-15 2014-04-15 10:42:56 by skywyy2011
[CPMD/CP ] [已完结]关于Li 的配位数和水分子的存在形态 (评阅+1) (0/1948) 向日葵2012 2014-04-15 2014-04-15 10:29:32 by 向日葵2012
[LAMMPS/ ] [已完结]lammps里面怎样分别设定x、y、z三个方向上的核数? (评阅+1) (0/360) cgzhang_gg 2014-04-15 2014-04-15 09:39:39 by cgzhang_gg
[MS] [已完结]国内哪儿有materialstudio 专门的培训班啊?? (评阅+1) (6/1848) peerlesszjh 2014-04-11 2014-04-15 09:33:41 by pigrass
[LAMMPS/ ] [已完结]lammps 报错 ERROR: Unknown command:  (../input.cpp:204) (评阅+1) (0/2264) 风易兰 2014-04-15 2014-04-15 09:27:55 by 风易兰
[LAMMPS/ ] [已完结]DL_POLY 2安装包 (评阅+1) (1/644) ytluminal 2014-04-14 2014-04-15 06:43:40 by tianlangxingaa
[MS] [已完结]对于相互作用参数的计算,使用哪个MS模块 (1/1092) liyaping0704 2013-10-11 2014-04-15 05:59:31 by yx0629
[Gromacs ] [已完结]用amber如何优化分子结构 以得到最稳定构型 最小能量 (评阅+1) (1/1061) lifeisall 2014-04-14 2014-04-14 23:56:33 by alystone
[专家会诊] [已完结]关于正压力的求解的实现问题 (评阅+1) (4/1137) chenjingzhi 2014-04-13 2014-04-14 22:18:36 by chenjingzhi
[MS] [已完结]急急急!求教如何用forcite计算用于表征相变温度的林德曼指数! (评阅+1) (0/562) skywyy2011 2014-04-14 2014-04-14 21:47:27 by skywyy2011
[LAMMPS/ ] [已完结][求助结束]径向分布函数文件RDFDAT中数据点个数在哪里定义? (评阅+1) (1/817) cenwanglai 2014-04-06 2014-04-14 20:32:40 by 美女三号1991
[DS/Syby ] [已完结]求助:对于对接的结果如何进行构象聚类,有哪些软件能进行这项工作 (评阅+1) (0/695) 林间笑客 2014-04-14 2014-04-14 20:31:02 by 林间笑客
[MS] 请问有没有人用blends计算flory huggiens参数 (评阅+1) (0/578) 王太杨 2014-04-14 2014-04-14 20:12:39 by 王太杨
[CPMD/CP ] [已完结]CPMD 退火求收敛波函数,总是提示警告,不知道问题在哪里? (评阅+1) (0/631) nature617 2014-04-14 2014-04-14 18:54:03 by nature617
[MS] [已完结]急!!哪位高手可以帮我解释下这是什么情况??? (评阅+1) (2/372) 橙橙橙大橙 2014-04-14 2014-04-14 14:57:30 by 橙橙橙大橙
[MS] [已完结]请教 个 linux下安装 问题 (评阅+1) (1/459) secin 2014-04-06 2014-04-14 14:56:41 by secin
[专家会诊] [已完结]Anneal计算出错问题 (评阅+1) (0/358) staventchoke 2014-04-14 2014-04-14 08:48:37 by staventchoke
[MS] MS分析态密度的问题 (评阅+2) (2/663) 111222000 2014-04-08 2014-04-14 07:38:41 by 111222000
[DS/Syby ] [已完结]autodock对接的氢键 (评阅+1) (7/2422) 柯艳萍 2014-03-31 2014-04-13 20:48:20 by arthurii
[Monte C ] [已完结]QMC菜鸟求助:Real time QMC 是否不同于DMC和VMC? (评阅+1) (0/342) liujinlei08 2014-04-13 2014-04-13 16:12:16 by liujinlei08
[Gromacs ] [已完结]大四科研小白,读研准备做分子模拟,毫无头绪,求各位老师前辈引路    ( 1 2 ) (评阅+1) (17/1885) cunjiehaha 2014-04-07 2014-04-13 15:08:31 by lhb19882003
[LAMMPS/ ] [已完结]不理解这句话的意思 (评阅+1) (0/319) liuasia 2014-04-13 2014-04-13 11:07:47 by liuasia
[LAMMPS/ ] [已完结]求助LAMMPS两次运算结果不一致问题!    ( 1 2 ) (评阅+1) (11/3688) zjnu_yc 2014-03-22 2014-04-12 20:58:42 by ysshj
[MS] [已完结]关于构建水分子,乙醇分子的若干问题 (评阅+1) (0/1010) zlx04lxx 2014-04-12 2014-04-12 19:52:20 by zlx04lxx
[MS] [已完结]Einstein diffusion 和 Rouse diffusion (评阅+1) (0/391) wangzhikun 2014-04-12 2014-04-12 17:32:28 by wangzhikun
[MS] [已完结]MS软件包求助!!! (评阅+1) (3/637) zsfxjf 2014-03-14 2014-04-11 23:33:34 by shq2113046
[CPMD/CP ] [已完结]请问CPMD可以计算热导率吗 捉急! (评阅+1) (1/805) 灿烂的幸福 2014-03-05 2014-04-11 20:46:07 by hufeng
[MS] [已完结][关贴]Material Studio 5.0 的Equilibria 模块不能运行,求解决方案,赠30个金币! (3/810) zyqlyg 2013-03-23 2014-04-11 19:50:05 by zyqlyg
[LAMMPS/ ] [已完结]LAMMPS氯化钠晶体结构构建    ( 1 2 ) (11/4704) hasisjc 2013-05-12 2014-04-11 17:44:47 by hasisjc
[DS/Syby ] sybyl的计算的是何种能量 (评阅+1) (0/985) patriciayxw 2014-04-11 2014-04-11 16:06:25 by patriciayxw
[LAMMPS/ ] [已完结]混合晶体初始模型构建 (评阅+1) (0/1137) WJ-MS 2014-04-11 2014-04-11 15:45:07 by WJ-MS
[LAMMPS/ ] [已完结]fix shake后能量输出为-nan (评阅+4) (2/883) xujc1983 2014-04-10 2014-04-11 15:29:10 by xujc1983
[MS] [已完结]MS的力场选择    ( 1 2 3 ) (评阅+1) (20/3040) staventchoke 2014-04-09 2014-04-11 14:43:48 by staventchoke
[MS] [已完结]纳米管流动 (评阅+1) (2/496) txf5160 2014-04-11 2014-04-11 14:13:57 by txf5160
[LAMMPS/ ] [已完结]lammps运行出现权限不够的问题 (评阅+1) (1/577) xmyxms 2014-04-11 2014-04-11 13:06:01 by smutao
[Gromacs ] [已完结]远程服务器存储空间 (评阅+1) (1/610) _蝶飞 2014-04-11 2014-04-11 11:04:58 by fangsteel
[CPMD/CP ] [已完结]这个该如何解释或更正呢? (评阅+1) (1/575) 向日葵2012 2014-04-04 2014-04-11 08:56:57 by hufeng
[MS] [已完结]动力学模拟固定键长 (评阅+1) (3/949) cpylovelove 2014-04-09 2014-04-11 08:36:44 by pigrass
[Gromacs ] [已完结]gromacs 每次运行,都 会显示一堆没用的东西,如何用一个参数,使它不显示 (评阅+1) (2/678) meatball1982 2014-04-10 2014-04-11 07:58:05 by meatball1982
[资源] [关贴]网上找的新版Sybyl-X2.0(非11273) (29/6477) sydtyx 2012-07-28 2014-04-11 05:17:23 by zw0123456789zw
[MS] [已完结]MS-DPD-计算有序参数(order parameter) (评阅+1) (0/1158) AA小小木虫 2014-04-10 2014-04-10 21:28:39 by AA小小木虫
[其他] [已完结]msd和VACF在双组份混合气体中扩散系数计算的差异 (评阅+1) (6/2809) cenwanglai 2014-04-08 2014-04-10 20:04:41 by 老虎大王
[MS] [已完结]MS软件中Forcite结构优化时使用什么算法? (评阅+1) (4/3672) missducksong 2014-04-06 2014-04-10 19:01:26 by pfabc0826
[资源] [已完结]CADD (评阅+1) (1/666) 1045132 2014-04-10 2014-04-10 16:27:20 by smutao
[Gromacs ] [已完结][关贴]求助wiley文献一篇 (0/268) 小兵ai石头 2014-04-10 2014-04-10 16:00:46 by 小兵ai石头
[专家会诊] [已完结]如何直观地描绘出一个聚集体的亲疏水表面? (评阅+1) (4/737) little_lion 2014-04-10 2014-04-10 15:47:29 by smutao
[LAMMPS/ ] 【求助】DL_POLY 4.0 下载 (7/2000) cg陈 2011-02-19 2014-04-10 13:02:54 by 小江浪水
[其他] [已完结]软件使用求助 (评阅+1) (6/897) yuyou 2014-04-09 2014-04-10 12:40:24 by yuyou
[其他] [已完结]polyrate9.7 模拟速率 (3/1077) liuyang092 2011-11-10 2014-04-10 12:36:44 by zhongshidaxt
[Monte C ] 看人气很冷,再发一篇自己的烂文章 (27/3091) zyj8119 2011-10-04 2014-04-10 10:28:08 by zj5783332
[MS] [已完结]盒子中分子的填装顺序 (评阅+1) (0/440) jlsdyac 2014-04-10 2014-04-10 09:35:53 by jlsdyac
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