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[热点] 2024 - Chemistry and Pharmacology of Drug Discovery asymmsyn 2026-01-20 刚刚
[Gromacs ] [已完结]离子电荷密度ionic charge density (0/1587) mengsk 2013-08-22 2013-08-22 11:52:21 by mengsk
[MS] [已完结][关贴]MS计算拉曼过程中出错,求助各位高手! (0/1074) zhl0373 2013-08-21 2013-08-21 21:35:49 by zhl0373
[MS] [已完结]蛋白一部分pdb做完优化后的回补 (2/467) 41XY 2013-08-19 2013-08-20 22:33:31 by 41XY
[MS] [已完结]怎样用Materials studio 模拟软件建立木粉的无定形分子模型 (0/865) 旗木螃蟹 2013-08-20 2013-08-20 14:44:09 by 旗木螃蟹
[DS/Syby ] [已完结]在对接时,受体pdb文件中出现异常,请各位帮忙看看 (0/360) 1054950560 2013-08-20 2013-08-20 08:37:43 by 1054950560
[LAMMPS/ ] [已完结]msi2lmp求助 (1/382) yanaixiao 2013-08-14 2013-08-19 16:03:36 by yangwenbin99
[其他] [已完结]vmd怎么将每一个frame存为一个pdb文件 (2/2695) xibeisiber 2013-07-28 2013-08-19 12:21:15 by xibeisiber
[DS/Syby ] [已完结]求Sybyl2.0 LINUX版 (0/485) tiger1918 2013-08-19 2013-08-19 10:20:50 by tiger1918
[MS] [已完结]如何避免铜纳米粒子在氩液体里不分散 (0/242) soonli 2013-08-18 2013-08-18 22:07:20 by soonli
[DS/Syby ] [已完结]如何进行同源蛋白的晶体结构叠合? (2/1046) 哀兵必胜 2013-07-16 2013-08-18 09:54:35 by 超人与小木虫
[DS/Syby ] [已完结]特殊对接 (3/411) shadow004 2013-08-16 2013-08-18 03:12:17 by xuxm03
[其他] [已完结]求一些模拟结果和现实结果一致的文献 (6/1029) bleach332361 2013-08-13 2013-08-17 22:23:47 by bleach332361
[Monte C ] [已完结]sorption中的energy distribution指的是什么能量? (1/499) njn0516 2013-08-09 2013-08-17 20:57:50 by njn0516
[Gromacs ] [已完结]PRODRG提示mol文件格式无效,应该是什么样的 (3/975) hongyexi 2013-08-17 2013-08-17 19:38:57 by dubo
[DS/Syby ] [已完结]MGLTools目录下的几个软件都是干吗用的呢 (5/1286) 29050801 2013-08-16 2013-08-17 12:22:39 by 29050801
[MS] [已完结]在蛋白与蛋白对接时,结果总是错误是什么原因啊 (5/763) 雨山闻雪 2013-08-13 2013-08-17 11:38:08 by huxi_8
[LAMMPS/ ] [已完结]关于LAmmps的windows下源程序编译调试问题 (7/1733) laoyingyzp 2013-07-07 2013-08-16 10:08:18 by 天泊乐
[MS] [已完结]关于计算性质时task选择 (0/208) flychuan 2013-08-16 2013-08-16 09:27:17 by flychuan
[MS] [已完结]求教为什么在ms中将SWNT插入到石墨烯中无法导出整个的pdb或cif文件? (6/2146) fangsteel 2013-08-12 2013-08-15 09:55:12 by jianying8996
[CPMD/CP ] [已完结]利用CPMD软件如何实现同时进行晶胞和胞内原子位置的优化 (7/1660) baoyuan6969 2013-08-12 2013-08-15 01:16:29 by ChemiAndy
[Gromacs ] [已完结]求助一个gromacs的并行脚本 (5/1697) lisuperyao 2013-08-09 2013-08-14 16:56:35 by dubo
[DS/Syby ] [已完结]sybyl clogp计算 (0/615) 金文彬 2013-08-14 2013-08-14 11:58:09 by 金文彬
[MS] [已完结]用Materials studio怎样进行能量最小化计算 (2/3850) 放羊的星星ljj 2013-08-02 2013-08-12 10:56:43 by 放羊的星星ljj
[LAMMPS/ ] [已完结]离子晶体势函数选择 (1/878) quby7503 2013-08-09 2013-08-12 09:15:35 by quby7503
[MS] [已完结]急求利用molden做出分子或原子电子密度或电子密度差的方法 (0/207) force-79469 2013-08-11 2013-08-11 15:38:32 by force-79469
[MS] [已完结]amorphous cell 中Construction问题 (0/1181) scorptionlin 2013-08-11 2013-08-11 10:20:42 by scorptionlin
[MS] [已完结]聚合物和表面活性剂与水相互作用参数 (0/370) 独孤一方1990 2013-08-09 2013-08-09 19:33:18 by 独孤一方1990
[DS/Syby ] [已完结]怎样利用RDOCK优化蛋白质配体受体对接构型 (0/1029) lianxiaoping 2013-08-09 2013-08-09 11:41:41 by lianxiaoping
[MS] [已完结]相互作用时valence energy越高越稳定 (3/1882) force-79469 2013-08-07 2013-08-08 21:10:41 by pigrass
[DS/Syby ] [已完结]求助 Autodock 氢键能的问题 (7/1796) 工大新生 2013-08-03 2013-08-08 19:14:38 by 工大新生
[Gromacs ] [已完结]NAMD 2.9 CUDA version 安装 (5/1388) shadow004 2013-08-05 2013-08-08 09:38:49 by wally8962
[Gromacs ] [已完结]antechamber遇到问题 (5/884) 小卷xujunli 2013-07-24 2013-08-08 08:37:46 by rantingjing
[MS] [已完结]时间步长1fs (2/1882) huangshuang1 2013-08-05 2013-08-07 23:27:14 by fhh2626
[LAMMPS/ ] [已完结]求助 (0/213) 水影恋镜 2013-08-07 2013-08-07 21:48:41 by 水影恋镜
[MS] [已完结]RDF计算求助 (5/3014) 汤tao 2013-08-05 2013-08-07 17:33:54 by pigrass
[其他] [已完结]画图软件 (2/430) xuemeng111 2013-08-06 2013-08-07 11:28:06 by c25968
[MS] [已完结]forcite结构分析中的spatial orientation correlation function 详细步骤 (2/796) zs806750658 2013-07-26 2013-08-07 09:06:45 by zs806750658
[专家会诊] [已完结]有哪些paper和网站是有关可以网上做分子对接操作的??? (2/2072) 179147112 2013-08-05 2013-08-07 09:04:29 by longytu
[DS/Syby ] [已完结]大家不要歧视新手啊!!!!!问个分子模拟的小白问题 (1/668) 179147112 2013-08-06 2013-08-07 09:01:12 by longytu
[MS] [已完结]Forcite 力场和势函数 (2/2225) 来不及许愿 2013-08-06 2013-08-06 21:45:19 by pigrass
[其他] [已完结]求MOE2012 (2/419) xpyp 2013-08-02 2013-08-06 18:13:02 by xpyp
[DS/Syby ] [已完结]求助用什么免费软件进行docking alignment (1/650) totoro1992 2013-05-21 2013-08-06 16:59:16 by rantingjing
[DS/Syby ] [已完结]loop的构象选择 (0/423) stevenchem 2013-08-05 2013-08-05 20:21:04 by stevenchem
[MS] [已完结]尿素分子c=o键与高岭石表面的法线方向也就是z轴方向的夹角分布如何分析 (0/449) zs806750658 2013-08-05 2013-08-05 11:15:15 by zs806750658
[MS] [已完结]求一个IgG的Fab片段的pdb文件 (3/682) lanxue515 2013-08-04 2013-08-05 07:17:41 by 笑盲虫
[专家会诊] [已完结]统计力学看不懂,哪位大神能简单讲讲 (0/379) jane8556 2013-08-04 2013-08-04 14:48:21 by jane8556
[DS/Syby ] [已完结]SYBYL分子对接问题 (0/594) 13581286695 2013-08-03 2013-08-03 14:34:39 by 13581286695
[其他] [已完结]请问有人知道winLALS从哪下载吗 (6/755) 肉山小魔王 2013-07-30 2013-08-02 09:57:03 by 肉山小魔王
[LAMMPS/ ] [已完结]lammps求助 (3/739) wjl1314 2013-07-03 2013-08-02 06:28:38 by xieluxielu
[Gromacs ] [已完结]mdp文件 (1/558) spirte雷 2013-08-01 2013-08-01 17:57:24 by spirte雷
[LAMMPS/ ] [已完结]关于dangerous bulids (1/1905) heibeidedong 2013-07-24 2013-08-01 09:45:46 by 天泊乐
[专家会诊] [已完结]爱因斯坦温度 (0/1720) fcg200808 2013-08-01 2013-08-01 09:20:27 by fcg200808
[DS/Syby ] [已完结]怎样判断两个靶点的同源性 (3/1340) cwtj 2013-07-31 2013-07-31 22:06:59 by ts2009
[LAMMPS/ ] [已完结]求助?怎么从剑桥晶体库得到物质的结构数据 (5/1183) zzqyljy 2013-07-30 2013-07-31 18:49:20 by 飞行鸟
[DS/Syby ] [已完结]请问用于同源模建的fasta文件是从哪里得到的下载的多谢 (1/377) cwtj 2013-07-31 2013-07-31 15:36:16 by ts2009
[Gromacs ] [已完结]Amber提交计算任务出错提示。求解! (0/681) 高興丶 2013-07-31 2013-07-31 11:35:46 by 高興丶
[LAMMPS/ ] [已完结]lammps如何算截断距离之外的rdf (1/731) 范围份额 2013-07-30 2013-07-31 11:02:29 by pigrass
[Monte C ] [已完结]Ising Model来模拟弛滞体(relaxor)的介电(dielectric)行为 都找不到peak (0/363) egg19900805 2013-07-30 2013-07-30 20:34:57 by egg19900805
[LAMMPS/ ] [已完结]LAMMPS中reign和box的问题 (1/299) dyc_2008 2013-07-30 2013-07-30 17:05:45 by wengshimu
[Gromacs ] [已完结]怎样解决AMBER中ptraj检查出来的atoms are too close (0/649) 丝路依在 2013-07-30 2013-07-30 15:57:45 by 丝路依在
[MS] [已完结]MS的polymorph模块能用来计算无机物多晶型吗 (4/1405) 阿拉丁2188 2011-09-29 2013-07-30 13:39:27 by Illusionist
[DS/Syby ] [已完结]specs数据库 (0/587) 达夫 2013-07-29 2013-07-29 18:09:19 by 达夫
[LAMMPS/ ] [已完结]lattice设置 (1/546) mzshchen 2013-07-26 2013-07-29 10:12:40 by wengshimu
[LAMMPS/ ] [已完结]力场中的交叉项 (3/756) jane8556 2013-07-28 2013-07-28 21:31:46 by fhh2626
[DS/Syby ] [已完结]SYBYL运行Orchestra的问题 (0/286) cwtj 2013-07-28 2013-07-28 18:21:47 by cwtj
[DS/Syby ] [已完结]sybyl 2.0 做SurflexDock,显示Protomol generation failed (2/1636) cwtj 2013-07-27 2013-07-28 07:25:48 by iam_saving
[DS/Syby ] [已完结]Sybyl的Retrieve PDB搜不到结果是怎么回事 (2/377) cwtj 2013-07-25 2013-07-26 16:02:32 by 钟洲2011
[MS] [已完结]对无定形区内纤维素模型的构建 (1/565) CQUTC 2013-07-26 2013-07-26 14:20:22 by CQUTC
[MS] [已完结]MS 建立Ho2O3和pr6o11的晶体结构 (0/387) hplc303 2013-07-26 2013-07-26 10:07:01 by hplc303
[DS/Syby ] [已完结]请问在SYBYL中以文本形式打开PDB文件的具体步骤 (0/650) cwtj 2013-07-25 2013-07-25 10:42:31 by cwtj
[DS/Syby ] [已完结]请教几个tripos原子类型的问题 (2/608) szhshuan 2013-07-25 2013-07-25 01:11:20 by szhshuan
[Gromacs ] [已完结]g_hbond命令设置‘供体-氢原子’长度 (1/689) sunnylfq 2013-07-24 2013-07-24 17:35:15 by xiaowu759
[LAMMPS/ ] [已完结]请教下DL_poly原子的frozen问题    ( 1 2 ) (11/877) visualization 2013-07-09 2013-07-24 16:45:35 by alanxy3000
[MS] [已完结]阴离子建模 (0/287) yida 2013-07-24 2013-07-24 10:59:14 by yida
[LAMMPS/ ] [已完结]HCACF (1/703) w76990480 2013-07-24 2013-07-24 09:38:56 by w76990480
[LAMMPS/ ] [已完结]lammps模拟 (1/742) 紫嫣小小 2013-07-19 2013-07-23 19:25:58 by 天泊乐
[资源] [已完结]求助关于初学者研究蛋白质模拟的问题    ( 1 2 ) (13/1880) smy897579 2013-04-26 2013-07-23 18:38:54 by smy897579
[MS] [已完结]FFV自由体积分数怎么模拟测定 (1/1742) 唱歌给你听dc 2013-05-03 2013-07-23 18:25:35 by lemon69
[DS/Syby ] [已完结]专业的对接问题--审稿人意见怎么理解? (1/448) gremangen 2013-04-06 2013-07-23 17:15:57 by ts2009
[其他] [已完结]关于用modeller进行同源建模的问题 (2/1112) 邓芳 2013-07-19 2013-07-23 16:44:20 by 邓芳
[DS/Syby ] [已完结]磷脂双分子层模型怎么建立? (4/2897) 超人与小木虫 2011-11-19 2013-07-23 15:07:31 by SunnyRain0.0
[LAMMPS/ ] [已完结]有机分子与无机Fe基板模型无法运行! (0/562) zzhwise 2013-07-23 2013-07-23 11:17:43 by zzhwise
[MS] [已完结]求教有什么简便的方法设置每一个分子的质心(centroid)? (2/1307) pielang 2013-07-22 2013-07-22 19:07:06 by pielang
[LAMMPS/ ] [已完结]DL_POLY模拟薄膜,为什么不支持不满足化学计量式的计算? (1/334) jyzhenwy 2013-07-11 2013-07-22 15:57:04 by hjghblg
[其他] [已完结]cosmer 分子模拟与精馏的关系 (0/463) baizhm 2013-07-22 2013-07-22 15:50:14 by baizhm
[Gromacs ] [已完结]Amber处理蛋白问题,求解答 (1/764) gss0840401 2013-07-17 2013-07-22 14:37:38 by gss0840401
[MS] [已完结]求助MS中display style的问题 (0/947) zhujunmou 2013-07-22 2013-07-22 14:22:38 by zhujunmou
[DS/Syby ] [已完结]急~急~急~分子动力学问题 (1/571) Qeason 2013-07-20 2013-07-22 11:36:23 by yaozhq
[其他] [已完结]modeller 菜鸟求助 (1/462) 生物-TJAB 2013-07-20 2013-07-22 11:34:27 by yaozhq
[Gromacs ] [已完结]antechamber中出现Segmentation fault (1/1122) jane8556 2013-07-21 2013-07-22 11:26:44 by yaozhq
[MS] [已完结]如何在Material Studio软件中模拟这种质子化? (0/1363) 野丫头不爱你 2013-07-22 2013-07-22 09:48:03 by 野丫头不爱你
[LAMMPS/ ] [已完结]ERROR on proc 0: Neighbor list overflow, boost neigh_modify one求助解决办法 (2/5776) 熊猫海棠 2013-07-12 2013-07-22 09:04:15 by 岐山凤鸣
[MS] [已完结]MS过渡态计算求助 (6/1524) 尸兄 2013-07-20 2013-07-22 08:34:30 by qyyos
[其他] [已完结]有unnatural amino acids 的 peptide的model (0/173) mare2003 2013-07-21 2013-07-21 08:16:29 by mare2003
[Gromacs ] [已完结]小分子电荷错误修改方法 (5/1659) 邓芳 2012-07-13 2013-07-21 07:45:36 by zlf9452006
[其他] [已完结]苯环上卤素如何稳定 (1/1026) 猪猪的宝贝 2013-07-19 2013-07-20 23:37:45 by fhh2626
[MS] [已完结]Castep提交计算一会就出现诡异错误,终止计算 (1/518) qyyos 2013-07-20 2013-07-20 15:11:15 by qyyos
[Gromacs ] [已完结]求gromacs oplsaa 中 K+, F-, Cl-, Br-, I- 力场参数的文献 (0/247) mengsk 2013-07-20 2013-07-20 12:10:55 by mengsk
[MS] [已完结]软件选择 (0/238) hjy2940 2013-07-20 2013-07-20 04:51:36 by hjy2940
[LAMMPS/ ] [已完结]求势文件 (0/234) chenkunkun 2013-07-19 2013-07-19 21:04:32 by chenkunkun
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