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[热点] 请教限项目规定 cpatefo 2026-01-19 刚刚
[Hyperch ] [已完结][关贴]请问Hyperchem能计算小分子物质的疏水性指数（PHI）吗 (评阅+1) (0/303) wen530 2013-12-20 2013-12-20 17:00:36 by wen530
[ME/Gulp] [已完结]力场拟合无法得到正确结果怎么解决？ (评阅+6) (1/624) O3传说 2013-12-19 2013-12-20 16:30:00 by zlf9452006
[MS] [已完结][关贴]【NaX分子筛建模问题】 (评阅+1) (0/232) lusostty 2013-12-20 2013-12-20 15:51:41 by lusostty
[CPMD/CP ] [已完结][关贴]wannier中心可以采用分子力场来算吗 (评阅+1) (1/580) furyrock 2013-12-20 2013-12-20 15:50:20 by furyrock
[Gromacs ] [已完结]哪位大神能传份并行脚本gr.pbs文件给我？ (评阅+1) (2/748) 三木713 2013-12-20 2013-12-20 15:40:21 by 三木713
[Monte C ] [已完结][关贴]GCMC 吸附氢气 模拟 (评阅+2) (1/1751) tanyhrf001 2013-12-19 2013-12-20 15:39:22 by lusostty
[其他] [已完结]怎样将Open Babel的二维变三维功能嵌入我的系统中 (评阅+1) (3/898) 袁crystal 2013-10-22 2013-12-20 13:08:15 by chenjibao
[MS] [已完结]请问MS运行时关闭电脑，是不是还在运行？？ (评阅+1) (4/1166) 等待蝉唱 2013-12-20 2013-12-20 11:51:26 by 懒羊羊Q
[LAMMPS/ ] [已完结]lammps固液共存 (评阅+1) (1/1163) 肖钧江 2013-12-20 2013-12-20 10:29:25 by 肖钧江
[DS/Syby ] [已完结][关贴]生成原型分子protomol时无法生成，出现 (评阅+1) (0/1184) zeroqianyu 2013-12-20 2013-12-20 10:12:12 by zeroqianyu
[Gromacs ] [已完结][关贴]l利用VMD添加多个溶质分子 (评阅+6) (4/1596) shijipei 2013-12-10 2013-12-20 09:42:46 by 29050801
[MS] [已完结][关贴]绝对吸附和超额吸附中—晶体的自由体积与气体的密度是如何确定的？请各位高手帮忙。 (评阅+2) (8/3446) tanyhrf001 2013-11-21 2013-12-19 21:19:28 by zhj10.26
[其他] [已完结][关贴]MVD模拟对接出现问题，各位看看吧，求解答! (评阅+1) (0/379) cuily0319 2013-12-19 2013-12-19 17:15:32 by cuily0319
[其他] [已完结][关贴]G-四链体与小分子相互作用的模型构建 (评阅+1) (0/580) 小军小爽 2013-12-19 2013-12-19 12:57:52 by 小军小爽
[MS] [已完结][关贴]计算发射，求甲基氰作溶剂的写法 (评阅+1) (0/215) shangxh 2013-12-19 2013-12-19 12:45:57 by shangxh
[MS] [已完结]想模拟高分子溶液的性质 (评阅+1) (5/822) lukey209 2013-12-18 2013-12-19 07:48:17 by 1102020629
[MS] [已完结]求一些有运用Material studio 软件的一些外文文献。。。 (评阅+1) (5/1585) peerlesszjh 2013-12-17 2013-12-18 17:32:38 by hanhan1020
[专家会诊] [已完结]模拟中的密度计算 (评阅+1) (3/1453) dreamfly_ykf 2013-12-17 2013-12-18 13:42:56 by tim562944200
[Gromacs ] [已完结][关贴]g_current的问题 (评阅+1) (0/391) Alauvia 2013-12-17 2013-12-17 22:22:15 by Alauvia
[MS] [已完结][关贴]MS中水的2D密度图怎么计算出来？ (评阅+1) (0/560) 樱恋宛如 2013-12-17 2013-12-17 21:58:05 by 樱恋宛如
[专家会诊] [已完结]那个软件能画出带透视效果的晶体结构图？ (5/2441) TYHB 2012-02-29 2013-12-17 20:49:46 by liushucheng
[专家会诊] [已完结][关贴]单个分子的势能计算 (评阅+1) (0/754) dreamfly_ykf 2013-12-17 2013-12-17 15:44:37 by dreamfly_ykf
[LAMMPS/ ] [已完结]constraint in DL_POLY (评阅+1) (2/342) alanxy3000 2013-07-22 2013-12-17 14:59:34 by alanxy3000
[其他] [已完结][关贴]扩散速率的比较 (评阅+1) (8/1879) gao880717 2013-12-10 2013-12-17 13:46:22 by gao880717
[其他] [已完结]desmond跑完动力学分析轨迹的问题 (2/1001) 菲常亦可 2013-12-16 2013-12-17 08:54:32 by 菲常亦可
[Gromacs ] [已完结][关贴]grace画rmsd随时间变化的图怎么做 (评阅+1) (3/1349) 菲常亦可 2013-12-15 2013-12-16 19:47:42 by 山羊2b
[专家会诊] [已完结]gromacs4.6.5安装问题 (评阅+1) (4/1255) huterx 2013-12-14 2013-12-16 19:41:45 by huterx
[其他] [已完结][关贴]SwissModel Alignment Mode (评阅+1) (1/634) huantao12 2013-12-03 2013-12-16 19:07:06 by 山羊2b
[MS] [已完结][关贴]急求国内外分子动力学模拟大牛课题组的网站.......... (评阅+1) (5/4189) hanhan1020 2013-12-02 2013-12-16 19:06:04 by 山羊2b
[LAMMPS/ ] [已完结]求铁的介电常数和电荷量的相关文献 (5/1171) yangwenbin99 2013-05-26 2013-12-16 15:41:16 by peterflyer
[其他] [已完结]如何利用GULP拟合分子间势能曲线得出力场参数    ( 1 2 ) (评阅+1) (10/2261) hjlyyc 2013-07-29 2013-12-16 07:42:03 by zlf9452006
[MS] [已完结]关于MS的atom selection，使用性质筛选，总是出错    ( 1 2 ) (评阅+1) (13/1494) gx730 2013-12-13 2013-12-15 06:08:48 by sf127710627
[其他] [已完结]请问second shell interactions是什么意思 (评阅+1) (2/739) lap4477 2013-12-14 2013-12-14 22:52:10 by lap4477
[Gromacs ] [已完结][关贴][AMBER] Missing BELE for MM in 1 ( residue 1) (评阅+1) (1/471) keke_1210 2013-12-14 2013-12-14 17:16:02 by keke_1210
[LAMMPS/ ] [已完结]TABEAM (评阅+1) (1/226) 肖钧江 2013-12-14 2013-12-14 16:09:16 by gx730
[Gromacs ] [已完结][关贴]gromacs做蛋白残基突变的热力学积分(TI)计算问题 (评阅+1) (0/667) lmyiop 2013-12-14 2013-12-14 14:28:01 by lmyiop
[MS] [已完结]ms分子模拟画结构时需要考虑单键双键和三键吗？    ( 1 2 ) (评阅+1) (16/2386) 等待蝉唱 2013-12-13 2013-12-14 00:09:08 by Voland
[MS] [已完结]求教新人从哪方面学计算合适 (评阅+6) (3/569) god_tian 2013-12-13 2013-12-13 14:48:11 by gx730
[其他] [已完结]分子原子间成键情况 (评阅+1) (2/664) WJ-MS 2013-12-13 2013-12-13 13:39:53 by WJ-MS
[DS/Syby ] [已完结]配体pdb文件中的温度因子 (评阅+5) (3/1049) xuyoudong 2013-11-05 2013-12-13 10:58:17 by wangyan10
[LAMMPS/ ] [已完结][关贴]kspace运用报错 (评阅+1) (1/1909) pbbpbb 2013-11-27 2013-12-13 08:51:01 by pbbpbb
[MS] [已完结]求助101面的（TiO2)38团簇结构 (5/1116) zhaojy008 2013-02-14 2013-12-13 02:14:34 by gonglijing
[MS] [已完结][关贴]求助文献Liu, J.; Rankin, R. B.; Johnson, J. K. Mol. Simul. 2009, 35, 60 (评阅+6) (4/737) 碧草幽幽 2013-12-04 2013-12-12 18:21:53 by Sean2010
[Monte C ] [已完结]比表面积的计算 (评阅+1) (2/1249) 笑笑愁 2013-12-12 2013-12-12 17:24:16 by zhucejinbi
[MS] [已完结]Mg金屬結構分子模擬 (评阅+1) (5/910) sf127710627 2013-12-10 2013-12-12 14:59:02 by sf127710627
[资源] [已完结][关贴]求J. Phys. Chem.文献 (评阅+1) (1/324) tastytzl 2013-12-12 2013-12-12 12:32:26 by zlf9452006
[MS] [已完结]如何用MS计算分子晶体的晶格能 (5/5342) vlang 2013-12-10 2013-12-12 11:12:59 by vlang
[MS] [已完结]急救 FAU 沸石（NaY）结构的画法 (5/2027) 657588466 2012-10-22 2013-12-12 05:51:41 by lusostty
[LAMMPS/ ] [已完结]lammps中LJ的不同形式转化 (评阅+1) (0/386) chenai.com 2013-12-11 2013-12-11 20:09:08 by chenai.com
[LAMMPS/ ] [已完结]分子模拟计算储层岩石的渗透率和比表面积 (评阅+1) (2/892) 笑笑愁 2013-12-10 2013-12-11 17:06:53 by 笑笑愁
[DS/Syby ] [已完结]DS同源建模报错 (评阅+1) (4/857) gxc0824 2013-11-10 2013-12-11 15:20:50 by HLAB
[DS/Syby ] [已完结][关贴]蛋白柔性残基设置之后非整数电荷问题？ (评阅+6) (0/399) liu_chen_na 2013-12-11 2013-12-11 14:37:54 by liu_chen_na
[LAMMPS/ ] [已完结][关贴]求势函数参数 (评阅+1) (0/490) soulermc 2013-12-11 2013-12-11 11:10:26 by soulermc
[LAMMPS/ ] [已完结][关贴]lammps计算冲击问题 (评阅+6) (2/556) MDeFF2012 2013-11-26 2013-12-11 08:55:25 by MDeFF2012
[Monte C ] [已完结][关贴]Towhee能模拟气体吸附等温线吗？    ( 1 2 ) (评阅+1) (10/2102) calebby 2013-12-07 2013-12-10 16:20:04 by zlf9452006
[Gromacs ] [已完结][关贴]combine.tcl问题 (评阅+1) (0/404) zxl102623 2013-12-10 2013-12-10 13:57:22 by zxl102623
[专家会诊] [已完结]求助关于分子拓扑学的问题 (评阅+1) (3/642) bleach332361 2013-12-09 2013-12-10 12:43:39 by polypro
[MS] [已完结][关贴]求乙基纤维素分子模拟相关中文及英文文献 (评阅+1) (1/235) 晏子青儿 2013-12-06 2013-12-10 09:14:53 by 晏子青儿
[LAMMPS/ ] [已完结][关贴]出现的问题 大家帮忙解决一下 (评阅+6) (0/291) houchaojian 2013-12-09 2013-12-09 16:18:53 by houchaojian
[MS] [已完结][关贴]金属与分子怎样配合 (评阅+1) (0/199) 等待蝉唱 2013-12-09 2013-12-09 15:24:54 by 等待蝉唱
[LAMMPS/ ] [已完结][关贴]the EAM potentials from LAMMPS to DL_POLY (评阅+6) (0/359) 肖钧江 2013-12-09 2013-12-09 14:27:11 by 肖钧江
[DS/Syby ] [已完结]DS中如何实现分布优化 (评阅+1) (3/551) haiyanqian 2013-11-25 2013-12-09 14:07:34 by monsoncupid
[MS] [已完结][关贴]MS模拟高分子自组装 (评阅+1) (2/466) 纤纤物 2013-12-06 2013-12-09 13:04:59 by 纤纤物
[LAMMPS/ ] [已完结]关于势函数选取的问题。。。 (评阅+1) (9/1828) wangyisheng 2013-12-02 2013-12-09 10:28:36 by wangyisheng
[Gromacs ] [已完结]如何重新分配resID (评阅+1) (2/365) 29050801 2013-12-07 2013-12-09 09:55:28 by 29050801
[LAMMPS/ ] [已完结][关贴]石墨烯边缘氢钝化的势函数有哪些？求高手指点！！！ (评阅+1) (1/560) yuanxm 2013-12-03 2013-12-09 09:29:59 by yuanxm
[MS] [已完结]分子模拟中的离子键 (评阅+1) (3/819) wanghuina108 2013-12-05 2013-12-09 00:53:07 by fhh2626
[MS] [已完结][关贴]MS中CreateBeadConnector脚本求助 (评阅+1) (0/365) SunnyRain0.0 2013-12-08 2013-12-08 20:42:52 by SunnyRain0.0
[MS] [已完结][关贴]求牛人指导！！！ (评阅+6) (4/647) 雪如飞 2013-12-06 2013-12-07 23:49:28 by polypro
[资源] [已完结][关贴]Cu-Ni合金的diffusion coefficient (评阅+1) (0/238) sf127710627 2013-12-07 2013-12-07 17:43:43 by sf127710627
[MS] [已完结][关贴]新人救助，为什么画个环，C原子不显示出来只有键。 (评阅+1) (9/1206) huzi2359 2013-12-05 2013-12-07 17:34:02 by 蓝水卫士
[LAMMPS/ ] [已完结][关贴]dlpoly续算问题 (评阅+1) (0/490) jyzhenwy 2013-12-06 2013-12-06 20:48:46 by jyzhenwy
[其他] [已完结]文献 (评阅+1) (1/204) 向日葵2012 2013-12-06 2013-12-06 18:05:19 by Sean2010
[Gromacs ] [已完结]Amber中怎么规定求哪几个原子的键长、键角、二面角 (5/1087) jianluo90 2013-12-04 2013-12-06 17:23:39 by Sean2010
[LAMMPS/ ] [已完结]经典分子动力学力场、势函数 (评阅+5) (9/3989) ddwy 2013-12-03 2013-12-06 15:26:28 by ddwy
[其他] [已完结][关贴]dsv 格式问题 (0/222) rivercmusmmu 2013-12-06 2013-12-06 12:18:53 by rivercmusmmu
[MS] [已完结][关贴]关于MS forcite 模块退火失败 (评阅+1) (4/2106) 风吹雪下 2013-12-01 2013-12-06 11:24:20 by BlackArcher
[LAMMPS/ ] [已完结]lammps求热导率的问题 (评阅+2) (8/4326) 马江将 2013-07-18 2013-12-06 10:57:07 by 马江将
[MS] [已完结][关贴]分子動力合金建模問題 (评阅+1) (1/229) sf127710627 2013-12-04 2013-12-06 01:56:51 by sf127710627
[其他] [已完结][关贴]本科毕业实习课题求助 (评阅+1) (7/1301) 东台臭豆腐 2013-12-05 2013-12-05 23:35:23 by pigrass
[DS/Syby ] [已完结][关贴]sybyl软件有哪些配套的药物分子或蛋白质数据库 (评阅+1) (3/1197) emucong 2013-12-05 2013-12-05 23:14:08 by emucong
[LAMMPS/ ] [已完结]求lammps中的cna源程序 (评阅+1) (2/402) pxjdal 2013-12-03 2013-12-05 21:59:01 by zhang_jaj
[其他] [已完结]Spartan.08.v1.2出错 (1/342) snake3208 2013-08-07 2013-12-05 20:35:23 by 船遇
[其他] [已完结]求助！spartan软件 (1/676) cpylovelove 2012-12-20 2013-12-05 20:34:35 by 船遇
[MS] [已完结][关贴]DPD模拟 (评阅+1) (0/277) 混世小魔女 2013-12-05 2013-12-05 16:25:21 by 混世小魔女
[MS] [已完结][关贴]压力对聚合物材料的影响的模拟，求教压力保持时间的问题    ( 1 2 ) (评阅+1) (10/1585) white雪儿 2013-11-26 2013-12-05 15:09:27 by white雪儿
[LAMMPS/ ] [已完结][关贴]atomeye无法实现应变着色 (评阅+1) (0/211) 舞昂琦VoVo 2013-12-05 2013-12-05 10:37:21 by 舞昂琦VoVo
[专家会诊] [已完结]求助 (1/265) hjfdgg 2012-05-12 2013-12-05 05:26:55 by 向东1988
[LAMMPS/ ] [已完结][关贴]NEMD模拟，设定温度为800K时，温度不守恒 (评阅+1) (2/889) 木水郡 2013-11-25 2013-12-04 16:28:08 by ashioulou
[LAMMPS/ ] [已完结][关贴]PCFF力場參數 (评阅+6) (0/2166) ashioulou 2013-12-04 2013-12-04 16:18:27 by ashioulou
[其他] [已完结][关贴]请问如何把sdf文件转换成ISIS BASE可以读的db文件？ (评阅+1) (0/378) ylye 2013-12-04 2013-12-04 13:56:31 by ylye
[Gromacs ] [已完结]使用antechamber生成resp电荷时报错 (6/2716) 梦里晓诗 2012-12-17 2013-12-04 12:25:29 by 139564@chen
[资源] [已完结]求一份 schrodinger 2013 软件。 (评阅+1) (4/1092) chemphy 2013-10-11 2013-12-03 21:18:22 by beefly
[MS] [已完结][关贴]怎么在Materials Studio中Sorption模块中做Radial distribution fuctions图    ( 1 2 ) (评阅+1) (10/2421) ligesi 2013-11-21 2013-12-03 20:21:03 by ligesi
[Gromacs ] [已完结][关贴]NAMD 怎样计算膜的疏水性宽度 (评阅+1) (1/340) yylcx 2013-12-03 2013-12-03 19:46:00 by yylcx
[DS/Syby ] [已完结][关贴]ds opose (评阅+1) (2/548) caidong0804 2013-11-27 2013-12-03 19:41:11 by monsoncupid
[Gromacs ] [已完结][关贴]vlimit exceeded for step 8367; vmax = 22.4965（amber,MD过程中出现错误） (评阅+1) (0/2278) 陈闹钟 2013-12-03 2013-12-03 18:54:39 by 陈闹钟
[DS/Syby ] [已完结][关贴]sybyl对接结果如何计算非键作用能？ (评阅+1) (1/634) w418704194 2013-12-01 2013-12-03 17:23:36 by w418704194
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