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[热点] 有机合成以后会不会被AI改变?做科研的虫友怎么看 zapen 2026-09-27 刚刚
[LAMMPS/ ] [已完结]力场中的交叉项 (3/920) jane8556 2013-07-28 2013-07-28 21:31:46 by fhh2626
[DS/Syby ] [已完结]SYBYL运行Orchestra的问题 (0/356) cwtj 2013-07-28 2013-07-28 18:21:47 by cwtj
[专家会诊] 请问MD、MM模拟中的静电力如何处理? (0/410) wdwangcn 2013-07-28 2013-07-28 15:38:30 by wdwangcn
[DS/Syby ] [已完结]sybyl 2.0 做SurflexDock,显示Protomol generation failed (2/1773) cwtj 2013-07-27 2013-07-28 07:25:48 by iam_saving
[资源] 分子模拟最新进展:北京化工大学仲崇立课题组在Chem.Rev发表综述文章    ( 1 2 3 ) (23/3836) huanghl2010 2013-07-15 2013-07-27 11:32:49 by Jeffchem
[DS/Syby ] [已完结]Sybyl的Retrieve PDB搜不到结果是怎么回事 (2/535) 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 (1/620) CQUTC 2013-07-26 2013-07-26 14:20:22 by CQUTC
[DS/Syby ] Autodock里面map的简写都是指什么? (0/915) play900325 2013-07-26 2013-07-26 10:38:31 by play900325
[MS] [已完结]MS 建立Ho2O3和pr6o11的晶体结构 (0/440) hplc303 2013-07-26 2013-07-26 10:07:01 by hplc303
[其他] 原子坐标单位除了nm,Angstrom外还有其他单位表示吗? 一篇诡异的文献 (1/986) qianxiong 2013-07-26 2013-07-26 01:12:25 by qianxiong
[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 (0/727) 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 (2/746) szhshuan 2013-07-25 2013-07-25 01:11:20 by szhshuan
[CPMD/CP ] 模拟分子晶体的第一原理软件 (9/1780) leila3409 2013-07-04 2013-07-24 22:46:33 by baoyuan6969
[Gromacs ] [已完结]g_hbond命令设置‘供体-氢原子’长度 (1/807) 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 ) (11/1362) visualization 2013-07-09 2013-07-24 16:45:35 by alanxy3000
[MS] [已完结]阴离子建模 (0/365) yida 2013-07-24 2013-07-24 10:59:14 by yida
[LAMMPS/ ] [已完结]HCACF (1/771) w76990480 2013-07-24 2013-07-24 09:38:56 by w76990480
[LAMMPS/ ] [已完结]lammps模拟 (1/870) 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 ) (13/2392) 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 (1/1865) 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? (1/593) 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 (2/1225) 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? (4/3295) 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! (0/672) 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)? (2/1396) 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? (1/443) 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 (0/512) 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 (1/851) 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 (0/1019) 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 (1/718) Qeason 2013-07-20 2013-07-22 11:36:23 by yaozhq
[其他] [已完结]modeller 菜鸟求助 (1/538) 生物-TJAB 2013-07-20 2013-07-22 11:34:27 by yaozhq
[Gromacs ] [已完结]antechamber中出现Segmentation fault (1/1215) 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? (0/1437) 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 (2/5895) 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 (6/1745) 尸兄 2013-07-20 2013-07-22 08:34:30 by qyyos
[其他] 请教Tinker的安装及使用 (3/1026) proton00 2013-07-20 2013-07-22 08:28:58 by fineren
[Gromacs ] 【求助】做NAMD的1K4C.pdb时候出现的错误 (30/4168) zyj8119 2010-12-19 2013-07-21 16:24:47 by mumun
[其他] [已完结]有unnatural amino acids 的 peptide的model (0/228) 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 (5/1867) 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 (1/1103) 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 (1/611) 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 (0/304) mengsk 2013-07-20 2013-07-20 12:10:55 by mengsk
[MS] [已完结]软件选择 (0/291) hjy2940 2013-07-20 2013-07-20 04:51:36 by hjy2940
[Monte C ] monte carlo 课程的讲义 (4/1107) little_lion 2013-03-28 2013-07-20 02:10:23 by 圆融
[LAMMPS/ ] [已完结]求势文件 (0/290) chenkunkun 2013-07-19 2013-07-19 21:04:32 by chenkunkun
[MS] 推荐MD论坛 (3/1060) hjy2940 2013-07-19 2013-07-19 14:27:55 by wingcat
[MS] [已完结]MS对晶体进行拟合怎么构建晶包单元 (0/289) libolixuemei 2013-07-19 2013-07-19 13:17:47 by libolixuemei
[Gromacs ] [已完结]怎么用antechamber生成参数 (1/444) jane8556 2013-07-18 2013-07-19 10:45:44 by fhh2626
[其他] [已完结]fortran编程 随机选取一些数 (2/1481) 906305675 2013-07-18 2013-07-18 19:09:06 by huan3221639
[MS] [已完结]求3D图解 聚丙烯改性之后结构变化 (0/300) wang_yang108 2013-07-18 2013-07-18 16:38:08 by wang_yang108
[Gromacs ] [已完结]水中溶菌酶例题,能量最小化时出现fatal error (2/1006) fhj1027 2013-07-13 2013-07-18 15:05:34 by fhj1027
[Gromacs ] [已完结]关于GROMACS模拟蛋白质的重复性 (2/1342) sunnylfq 2013-07-17 2013-07-18 11:35:13 by sunnylfq
[LAMMPS/ ] [已完结]vmd 区域原子选择 (0/1787) yiha 2013-07-18 2013-07-18 10:38:03 by yiha
[MS] first-order wetting transition (1/366) bingmeng1987 2013-07-18 2013-07-18 09:39:56 by sciencejoy
[CPMD/CP ] [已完结]CPMD跑动力学 (模拟EPI+1)(6/1934) 雪灵 2012-05-30 2013-07-18 01:05:03 by ChemiAndy
[MS] [已完结]药物与高分子材料之间的相互作用方式能用软件模拟出来吗? (3/871) niwopengyou 2013-07-17 2013-07-17 19:55:03 by dubo
[Gromacs ] [已完结]用Amber跑MD,水跑散了,怎么办呢? (4/1347) mojie1987 2012-10-15 2013-07-17 13:52:54 by huyingdamon
[其他] 使用COMPASS 力场的同学请注意 (7/3421) 043114076 2012-05-02 2013-07-17 02:54:44 by ChemiAndy
[LAMMPS/ ] [已完结]纯铁势函数相关文献 (0/465) 肖钧江 2013-07-16 2013-07-16 21:18:11 by 肖钧江
[Gromacs ] [已完结]其他溶剂 (4/768) huyingdamon 2013-07-14 2013-07-16 19:52:11 by huyingdamon
[Gromacs ] [已完结]求大神指导GMX,有机溶剂分子参数的编写,和模拟一些重要地方修改 (6/1520) abigrabbit 2012-07-21 2013-07-16 16:50:05 by huyingdamon
[Gromacs ] [已完结]在amber中小分子和金属离子的作用 (2/1164) major016 2013-07-15 2013-07-16 14:11:05 by jennie宁
[DS/Syby ] [已完结]RDOCK rdock.pl出现ERROR (4/847) nufang19a 2012-10-17 2013-07-16 10:56:43 by 不喜欢豆芽
[DS/Syby ] [已完结]autodock 对接结果的合并 (4/1368) shadow004 2013-07-16 2013-07-16 10:45:00 by shadow004
[LAMMPS/ ] [已完结][关贴]计算密度 (3/2253) lvubaby 2013-07-15 2013-07-16 08:21:49 by abinitio
[LAMMPS/ ] 关于分子动力学的一些问题,恳请各位赐教 (7/2452) jinlong8937 2013-03-18 2013-07-16 05:56:04 by jinlong8937
[Gromacs ] [已完结]小分子top获得方法 (4/1511) huyingdamon 2013-07-02 2013-07-15 21:16:41 by 469187892
[LAMMPS/ ] [已完结]lammps中输出项Enthalpy的单位是什么 (8/3099) 马江将 2013-06-25 2013-07-15 18:41:16 by 马江将
[DS/Syby ] [关贴]sybyl , 无配体对接 (6/2015) 家强 2013-07-14 2013-07-15 17:37:46 by 家强
[资源] [关贴]2013分子模拟暑期学校----====据说标题长才有人看===不知道是不是真的 (13/1618) mingzezhong 2013-07-09 2013-07-15 16:43:08 by yingsit
[MS] [已完结]关于分子模拟中建模的初级问题 (9/2864) luoyiwei 2013-05-05 2013-07-15 14:16:55 by CQUTC
[LAMMPS/ ] [已完结]碳管声子分支数指的是什么?能否计算得出? (4/959) 熊猫海棠 2013-06-09 2013-07-15 09:45:47 by 熊猫海棠
[DS/Syby ] [已完结]请教各位大神关于软件版权的问题~~~~~ (7/3641) junjun0711 2013-07-11 2013-07-14 19:59:35 by longytu
[其他] 【求助】求助 淀粉结构模拟 (2/417) vine2008 2011-02-25 2013-07-14 14:07:43 by 三木713
[DS/Syby ] [已完结]show interactions出错~~~到最后一步出错了,情何以堪 (0/1200) 难忘_kitten 2013-07-14 2013-07-14 10:52:07 by 难忘_kitten
[DS/Syby ] [已完结]sybyl中的LOO检验的Q^2的计算公式? (2/675) 邓芳 2013-07-10 2013-07-13 22:38:41 by 邓芳
[MS] [已完结]MS中怎么看浓度 (0/1327) pielang 2013-07-13 2013-07-13 18:04:28 by pielang
[Gromacs ] gromacs中怎么得到准确的静电能 (2/1100) yuhua6613 2012-11-21 2013-07-13 13:43:45 by 蠢蠢欲动
[Gromacs ] 【分享】蛋白质同源建模(创腾) (10/1942) sinokang 2010-06-10 2013-07-13 12:41:35 by lianxiaoping
[DS/Syby ] PDB蛋白数据库中的蛋白全吗? (5/1418) yqx1985 2013-07-12 2013-07-13 10:18:02 by yqx1985
[MS] 推荐一个文献工具,按研究领域订阅多个数据库的最新接受文献 (11/2513) ChemiAndy 2013-06-28 2013-07-13 00:20:44 by ChemiAndy
[MS] [关贴]差分电荷密度图 (0/1666) ch745236751 2013-07-12 2013-07-12 17:03:40 by ch745236751
[Gromacs ] [已完结]在gromacs模拟中,配体小分子中苯环连的Br原子与苯环不在一个平面上 (1/709) 469187892 2013-07-11 2013-07-12 12:41:34 by huyingdamon
[DS/Syby ] [已完结]DS 的一个训练集简单问题求助 50+50=100G!!! (5/982) hollelry 2013-07-11 2013-07-12 12:41:13 by shaye
[Gromacs ] [已完结]ngmx指令找不到 (6/2125) Leliel 2013-07-09 2013-07-12 12:16:48 by huyingdamon
[MS] [已完结]discover--dynamics没有显示错误但是计算停止了 (4/821) 吉米爱多 2013-07-10 2013-07-12 10:47:26 by 吉米爱多
[MS] [已完结]谁有compass力场的介绍 (2/653) haobkl 2013-07-11 2013-07-12 09:14:14 by klaus1987
[LAMMPS/ ] [已完结]problems on DL_POLY post-simulation data analysis.. (1/295) lht413 2013-07-11 2013-07-11 23:07:09 by tianlangxingaa
[其他] 有没有什么参量能够比较两个体系的相似性 (6/896) wyding 2013-07-10 2013-07-11 20:59:31 by wyding
[Gromacs ] [已完结]请问gromacs算比较大的体系,体系净电荷不为零可以吗? (1/1336) mengsk 2013-07-11 2013-07-11 20:43:46 by yaozhq
[LAMMPS/ ] NVE,NPT温度的衔接 (9/1952) yongning88 2013-07-04 2013-07-11 15:58:12 by ashioulou
[DS/Syby ] windows7 下 用autodock4 生成pdbqt时发生错误 为什么啊 (2/843) linyingjia 2013-07-08 2013-07-11 12:49:36 by linyingjia
[MS] [已完结]MS模拟气体扩散时的参数设置问题 (4/1907) luoyiwei 2013-07-10 2013-07-11 11:09:48 by sciencejoy
[Gromacs ] [已完结]pull 文献 (4/589) memgr 2013-07-09 2013-07-11 10:08:27 by memgr
[Gromacs ] [已完结]gromacs索引文件的问题 (2/1377) linyusuc 2013-07-07 2013-07-10 20:39:07 by jerkwin
[Gromacs ] [已完结]gromacs计算溶解度参数 (0/950) linyusuc 2013-07-10 2013-07-10 18:23:03 by linyusuc
[专家会诊] [已完结]本人有一张X-ray图,现求帮忙 (5/1518) gujinwang 2013-07-09 2013-07-10 16:58:49 by gujinwang
[Gromacs ] 高斯产生小分子参数问题 (6/1990) wl507586 2013-07-03 2013-07-10 16:56:22 by wl507586
[Gromacs ] [已完结]gromacs 中配体周围残基中的原子电荷 (2/585) qishiyy 2013-07-09 2013-07-10 16:50:12 by qishiyy
[LAMMPS/ ] [已完结]求一些有关多壁碳纳米管热导率的文章或结论 (0/337) 熊猫海棠 2013-07-10 2013-07-10 16:05:14 by 熊猫海棠
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