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[热点] 重磅!青年科学基金项目(C类)资助增幅预计超过50% 水和泥不是水泥 2026-05-14 刚刚
[MS] [已完结]怎样对于碳管表面添加一个锂原子,并对其进行结构优化 (评阅+1) (0/234) 白玉浴血 2013-10-29 2013-10-29 15:38:23 by 白玉浴血
[Monte C ] [已完结]求助大家两篇有关蒙卡的文献,不甚感激 (0/267) qinjianfa 2013-10-29 2013-10-29 15:29:06 by qinjianfa
[Gromacs ] [已完结]急求解答,关于力场的电荷参数!!! (4/2132) haoguoyu 2013-10-27 2013-10-29 14:50:13 by ChemiAndy
[Monte C ] [已完结]sorption模块 fugacity和pressure?? (2/571) linbin1990 2013-10-28 2013-10-29 11:11:39 by 原来是梦8804
[MS] [已完结]MS 密度曲线 (4/1894) tim562944200 2013-10-21 2013-10-29 10:06:07 by tim562944200
[Gromacs ] [已完结]有没有研究淀粉方面分子动力学的大牛啊、本人菜鸟太多问题、需要帮助啊!!!    ( 1 2 ) (11/1868) 三木713 2013-10-24 2013-10-29 09:29:58 by 阿德
[Gromacs ] [已完结]gromacs中金属离子的处理 (6/2903) qingtian510 2013-09-23 2013-10-29 09:05:47 by 泊小夏
[Gromacs ] [已完结]使用amber中的antechamber 出现1 is not a valid atom id in CONECT (0/264) 达夫 2013-10-28 2013-10-28 21:59:55 by 达夫
[资源] [已完结]急求文献一篇。非常感谢。 (1/462) gliu5 2013-10-27 2013-10-27 23:09:56 by fangsteel
[Monte C ] [已完结]simbad/simspud 溅射模拟 (评阅+1) (0/459) ssjjleo 2013-10-27 2013-10-27 20:45:57 by ssjjleo
[Gromacs ] [已完结]蛋白质的电荷不为整数问题 (3/1928) 邓芳 2013-10-25 2013-10-27 16:27:43 by fangsteel
[CPMD/CP ] [已完结]关于cp2K软件的使用 (0/5035) weinazh 2013-10-27 2013-10-27 16:12:06 by weinazh
[Gromacs ] [已完结]contact angle time line 接触角与时间的关系 (1/474) jackwangee 2013-10-25 2013-10-26 15:16:05 by 王苗kevin
[Gromacs ] [已完结]跑出盒子的原子怎么移回来 (3/1678) shabeir 2013-10-25 2013-10-26 10:15:59 by fhh2626
[Gromacs ] [已完结]水溶菌酶模拟 (2/411) 水儿CoCo 2013-10-26 2013-10-26 09:46:10 by 水儿CoCo
[MS] [已完结]新手如何学习计算化学与分子模拟 (1/762) 城中木 2013-10-25 2013-10-25 20:48:46 by youyno
[Gromacs ] [已完结]求助VMD里面水的表示。。或者存储rst7的格式。。。 (4/1047) 亍寞 2013-10-25 2013-10-25 15:00:16 by 亍寞
[MS] [已完结]ms画图求助,急急急 (1/433) 韩欢欢 2013-10-25 2013-10-25 14:18:00 by pigrass
[LAMMPS/ ] [已完结]求助:lammps怎么输出每一步的能量? (2/3507) 暖雨 2013-10-22 2013-10-24 11:26:41 by botar
[DS/Syby ] [已完结]AutoDock大分子问题    ( 1 2 ) (11/2472) 625915317 2013-10-18 2013-10-24 10:56:16 by sjputao
[Monte C ] [已完结]大家谁有这篇英文文献,我们学校的资源搜不到,谢谢了 (6/1323) qinjianfa 2013-10-21 2013-10-24 10:13:56 by 孤独中生存
[LAMMPS/ ] [已完结]c++小白求助 (3/562) 韩欢欢 2013-10-20 2013-10-24 07:33:24 by lsloneil
[DS/Syby ] [已完结]怎样以Ref RMS来评价autodock对接方法的可靠性(重对接法) (2/3407) szhshuan 2013-10-22 2013-10-23 19:24:10 by monsoncupid
[MS] [已完结]水分子模型的设置问题 (0/484) magaohong 2013-10-23 2013-10-23 16:59:41 by magaohong
[Gromacs ] [已完结]跑动力学时停电,就跑了一大半,能不能在继续做啊    ( 1 2 ) (15/2337) 1054950560 2013-10-22 2013-10-23 16:46:03 by 1054950560
[DS/Syby ] [已完结]DS分子对接怎么评价? (3/1916) 天湖酒 2013-09-11 2013-10-23 15:51:36 by monsoncupid
[ME/Gulp] [已完结]ME对同一个模型,每次的relaxation操作都引起结果的变化,为什么? (1/483) 0712002160 2013-05-27 2013-10-23 06:21:11 by 王心凌wf
[DS/Syby ] [已完结]我在sybyl里导入活性数据的时候,总有问号错误出现 (0/369) 565034654 2013-10-22 2013-10-22 17:31:38 by 565034654
[MS] [已完结]谁能帮我画一个钕铁硼(Nd2Fe14B)晶体单胞结构图啊?谢谢 (1/1882) ccmm2008 2013-10-21 2013-10-22 16:52:57 by pigrass
[MS] [已完结]ms 6.1安装求助 (2/533) chenfeng2007 2013-10-22 2013-10-22 16:40:32 by chenfeng2007
[Monte C ] [已完结]初用MUSIC,请问分子文件从哪里能找得到?例如MIL-53    ( 1 2 ) (10/1423) rdfce6 2013-08-01 2013-10-22 11:43:17 by m11111222222
[MS] [已完结]DS2.5问题求助 (4/1606) 张学升 2013-10-10 2013-10-22 09:54:07 by yaozhq
[MS] [已完结]sorption模块中,逸度和压力有什么区别 (2/995) linbin1990 2013-10-20 2013-10-22 08:36:06 by linbin1990
[Gromacs ] [已完结]amber跑动力学后如何分析二级结构的变化 (0/696) 1054950560 2013-10-21 2013-10-21 15:43:25 by 1054950560
[Monte C ] [已完结]蒙特卡罗法模拟玻璃固化体的浸出率 (0/519) qinjianfa 2013-10-21 2013-10-21 14:28:55 by qinjianfa
[MS] [已完结]MS软件运行过程中,计算机断电,重新开机后可否继续运行?如何操作? (4/1285) dsdragon0546 2013-10-19 2013-10-21 09:06:49 by dragon_d
[MS] [已完结]MIL68上手动添加了H原子,然后用forcite优化 (1/543) linbin1990 2013-10-20 2013-10-20 22:53:16 by Voland
[DS/Syby ] [已完结]有离子的化合物如何对接 (0/500) zhouzhiguang 2013-10-19 2013-10-19 20:56:23 by zhouzhiguang
[专家会诊] [已完结][关贴]lammps跨节点安装合适吗? (7/2172) 1612 2013-10-17 2013-10-19 20:20:37 by 1612
[MS] [已完结]水分子的模拟 (2/717) magaohong 2013-10-17 2013-10-19 19:59:51 by dsdragon0546
[Gromacs ] [已完结][关贴]SiO2的模型-gromacs (0/1229) polyester 2013-10-19 2013-10-19 16:03:10 by polyester
[MS] [已完结]请问这样的结构图用什么软件画 (2/1001) honeyduck 2013-10-18 2013-10-18 23:19:43 by honeyduck
[其他] [已完结]催化反应,其中一个反应物添加多会造成反应速率降低是什么原因 (2/477) mln2007 2013-10-15 2013-10-18 17:42:56 by mln2007
[LAMMPS/ ] [已完结]lammps 如何让原子以某种速度(函数)移动? (0/3158) 树栽子047 2013-10-18 2013-10-18 16:33:05 by 树栽子047
[其他] [已完结]autodock 模拟结果不对 (5/890) huantao12 2013-10-10 2013-10-18 16:10:01 by 药物设计
[ME/Gulp] [已完结].xtd和.xcd文件的问题 (4/1866) sd-wmg 2013-10-17 2013-10-18 15:30:15 by pigrass
[MS] [已完结]金属团簇沉积过程模拟可以用MS实现吗? (5/1027) walkhf 2013-10-11 2013-10-18 11:39:13 by voleyes
[资源] [已完结]求amber9.tgz (2/479) euroford 2013-10-15 2013-10-18 10:22:33 by euroford
[Gromacs ] [已完结]GROMACS做二维多孔石墨烯的MD,求一合适的nvt.mdp参数文件 (1/1134) Physics77 2013-10-16 2013-10-17 21:38:31 by fangsteel
[专家会诊] [已完结]做虚拟筛选判断一个化合物好坏的标准是什么 (6/1950) piscesee 2013-10-14 2013-10-17 18:25:04 by huyingdamon
[DS/Syby ] [已完结]AutoDock安装问题 (5/1467) xiaodaolai 2013-10-13 2013-10-17 12:44:31 by xiaodaolai
[MS] [已完结]构建晶体结构,这其中P是什么意思啊 (0/1099) Lzp425496024 2013-10-17 2013-10-17 10:12:53 by Lzp425496024
[MS] [已完结]用以描述碳硫和碳氧的势函数 (0/363) songyunsu 2013-10-17 2013-10-17 09:13:19 by songyunsu
[LAMMPS/ ] [已完结]Ubuntu 编译Lammps 单机串行错误,帮帮忙 (评阅+1) (5/2277) shixha 2011-04-23 2013-10-17 07:24:19 by aihehaitang
[Gromacs ] [已完结]Gromacs跑完动力学模拟之后如何分析小分子和蛋白之间的相互作用? (2/1315) pkuchemistry 2013-10-15 2013-10-16 20:28:18 by 转基因猴子
[Gromacs ] [已完结]跑完Gromacs的动力学模拟之后的轨迹文件.trr里面没有内容,为什么? (4/2047) pkuchemistry 2013-10-16 2013-10-16 19:03:25 by pkuchemistry
[LAMMPS/ ] [已完结]能够使用LJ势来模拟水吗 (4/1055) chenjingzhi 2013-10-14 2013-10-16 14:24:43 by chenjingzhi
[其他] [已完结]PyRx中怎样添加Si的原子类型 (0/408) 邓芳 2013-10-16 2013-10-16 11:36:23 by 邓芳
[DS/Syby ] [已完结]我是初学小菜鸟, 请教版内高手有什么杂志常收录相关docking的文件,比较权威的 (2/509) junjun0711 2013-10-15 2013-10-16 11:07:30 by junjun0711
[LAMMPS/ ] [已完结]除了写restart,lammps里还有其他方法保留group信息,以便继续计算吗? (0/960) rush7 2013-10-16 2013-10-16 03:30:41 by rush7
[MS] [已完结]关于结构优化的问题 (0/922) 白发魔女 2013-10-15 2013-10-15 20:03:33 by 白发魔女
[MS] [已完结]MS无法导出任何格式的文件 (4/2462) rdfce6 2013-08-15 2013-10-15 17:51:26 by 奈落之夜
[DS/Syby ] [已完结]想请您指点一下如何在ds中安装UniRef90 database (0/356) ttrr1987 2013-10-15 2013-10-15 15:16:13 by ttrr1987
[MS] [已完结]forcite做动力学计算出错了,哪位帮忙看一下是什么原因    ( 1 2 ) (11/5442) longwei1221 2012-10-23 2013-10-15 11:36:17 by longweig
[MS] [已完结]关于MS动力学精度设置问题 (4/1773) cg陈 2013-10-13 2013-10-15 08:34:08 by siyecao0425
[MS] [已完结]做为研一新生,面对实验课题我很迷茫!    ( 1 2 ) (13/1715) 小小鑫000 2013-09-23 2013-10-15 00:12:59 by Voland
[MS] [已完结]materials studio里哪个模块可以模拟多孔聚合物(有机无机复合且带电荷)? (1/826) 水流星章 2013-10-14 2013-10-14 21:40:26 by 水流星章
[MS] [已完结]GULP如何加bond order parameters (0/354) huxiao.gl 2013-10-14 2013-10-14 20:21:59 by huxiao.gl
[DS/Syby ] [已完结]请问大家这种图片里面的棍状蛋白是用哪个命令做出来的? (2/346) wohaihao 2013-10-10 2013-10-14 18:22:17 by wohaihao
[MS] [已完结]求助MS6.0中如何营造这种吸附环境 (1/580) huachao90 2013-10-04 2013-10-14 16:28:35 by pfabc0826
[MS] [已完结]求助:怎样学好MS与DMol3 (0/434) 追梦钟0214 2013-10-14 2013-10-14 15:27:49 by 追梦钟0214
[MS] [已完结]构建自由基模型 (4/2296) ytduh 2013-10-14 2013-10-14 14:01:41 by pigrass
[其他] [已完结]求助 石墨烯尺寸问题 (0/388) J_destiny___ 2013-10-14 2013-10-14 10:27:44 by J_destiny___
[DS/Syby ] [已完结]安装DS2.5后运行有问题 (2/420) evelyn_w 2013-09-11 2013-10-14 10:25:15 by monsoncupid
[DS/Syby ] [已完结]求 SYBYL1.1.083软件(包括license文件),感激不尽。 (4/2191) 912941425 2013-10-13 2013-10-14 00:20:58 by cao2oem
[其他] [已完结]请问大家有什么软件可以做一个蛋白残基侧链的振动图 (3/778) pink877623 2013-10-11 2013-10-13 10:26:37 by tsingtaobeer
[MS] [已完结]MS软件打开时出现问题 (0/322) 初之 2013-10-13 2013-10-13 09:03:20 by 初之
[专家会诊] [已完结]sybyl对接时,用CHEMDRAW格式画的分子如何保存为SYBYL识别的格式啊 (2/2565) 哀兵必胜 2013-05-06 2013-10-13 07:38:29 by tsingtaobeer
[Gromacs ] [已完结]有葡萄糖的par和top文件吗 (2/542) wshzxcc 2012-04-20 2013-10-12 18:00:32 by 29050801
[MS] [已完结]一价铜离子的L-J势能参数是多少?请有知道的大神能说一下。 (0/453) wofjg2008 2013-10-12 2013-10-12 15:28:56 by wofjg2008
[DS/Syby ] [已完结]autodock4 can't create log file C:\Program Files\MGLTools 1.5.4\WORK\p?.dlg (6/1096) veradpp 2012-07-25 2013-10-12 11:49:36 by veradpp
[其他] [已完结]求助MOE2012 (4/566) hoc2h2 2013-10-10 2013-10-12 00:18:11 by forpal
[MS] [已完结]Autodock安装问题 (3/930) autumns3 2013-10-08 2013-10-11 19:20:54 by longytu
[其他] [已完结]求助 Cu Ni合金势函数 要做合金的分子动力学模拟,势函数找不到啊 (2/470) liandarupen 2013-10-09 2013-10-11 11:21:23 by liandarupen
[其他] [已完结]flip ring corner如何解释呢? (0/466) jinyurui 2013-10-11 2013-10-11 10:38:35 by jinyurui
[MS] [已完结]MS连续模拟降温过程 (2/669) 杰克斯派洛王 2013-10-10 2013-10-10 22:10:40 by walkhf
[LAMMPS/ ] [已完结]分子散开为原子 (1/454) jane8556 2013-10-10 2013-10-10 22:02:47 by fangsteel
[其他] [已完结]有个基因优化的网址这么打不开 (0/276) 史前五百年 2013-10-10 2013-10-10 21:47:53 by 史前五百年
[其他] [已完结]MOPAC问题 (6/867) chengh0656 2012-10-09 2013-10-10 20:37:37 by qdykswang
[MS] [已完结]求教如何在amorphous cell 中加入周期性结构 (0/372) pp123321 2013-10-10 2013-10-10 19:13:53 by pp123321
[DS/Syby ] [已完结]sybyl-x 1.2 水分子介导的氢键怎么显示出来? (2/703) 胡成海 2013-10-06 2013-10-10 16:39:26 by s1g2k3
[专家会诊] [已完结]pdb文件显示 (5/812) little_lion 2013-06-28 2013-10-10 11:55:36 by fengxinzi78
[DS/Syby ] [已完结]NAD和底物分子 两个配体怎么dock进一个蛋白质里? (4/921) 835598372 2013-10-08 2013-10-10 10:00:44 by yaozhq
[MS] [已完结]MS的Doml模块计算结果错误 (6/1470) 白发魔女 2013-09-29 2013-10-10 09:33:44 by Lzp425496024
[MS] [已完结]有朋友有3Dmax 7.0英文版软件吗?很急需,O(∩_∩)O谢谢啦 (0/428) lanyue123 2013-10-10 2013-10-10 09:30:44 by lanyue123
[LAMMPS/ ] [已完结]声子态密度求助 (1/807) cumtlibt 2013-10-09 2013-10-09 18:52:16 by cumtlibt
[MS] [已完结]金属Cu升温熔化结晶模拟,就是从2.5K加热到2000K,fix 综系哪里总有错误,求大神改下 (2/768) 534895182 2013-03-27 2013-10-09 18:51:05 by mali988920
[MS] [已完结]请问MS如何单独显示一大堆分子中指定的某一个分子?谢谢! (5/1693) 1612 2013-10-08 2013-10-09 17:22:24 by 1612
[MS] [已完结]layer builder (0/222) missingwudi 2013-10-09 2013-10-09 17:10:22 by missingwudi
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