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[热点] 招博士 王仕尧 2026-01-25 刚刚
[其他] [已完结]desmond跑完动力学分析轨迹的问题 (2/1016) 菲常亦可 2013-12-16 2013-12-17 08:54:32 by 菲常亦可
[DS/Syby ] 【求助】Discovery Studiov2.1 和Accelrys Pipline Pilotv7.5兼容吗?    ( 1 2 ) (评阅+1) (11/1701) xppcomeon 2010-09-28 2013-12-17 07:37:11 by asind
[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) (4/1263) 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) (1/637) 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) (5/4193) 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 (5/1172) yangwenbin99 2013-05-26 2013-12-16 15:41:16 by peterflyer
[其他] [关贴]autodock (评阅+1) (0/1159) huantao12 2013-12-16 2013-12-16 14:48:12 by huantao12
[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) (10/2280) hjlyyc 2013-07-29 2013-12-16 07:42:03 by zlf9452006
[DS/Syby ] 一个小小的困惑,sybyl (评阅+1) (1/307) 老曼7 2013-12-14 2013-12-15 09:45:07 by yalefield
[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) (13/1516) 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) (2/740) 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) (1/474) 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) (0/671) 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) (16/2412) 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) (3/570) 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) (2/671) 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) (3/1058) 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) (1/1910) 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 (5/1119) 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) (5/921) 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 (5/5354) 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 (5/2030) 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) (2/893) 笑笑愁 2013-12-10 2013-12-11 17:06:53 by 笑笑愁
[LAMMPS/ ] 关于计算平均能量 (评阅+1) (3/1514) wangyisheng 2013-12-09 2013-12-11 16:17:26 by wangyisheng
[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) (0/491) 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
[其他] 分子动力学研究领域的又一重要进展 (评阅+3) (9/2937) yexuqing 2011-07-25 2013-12-11 06:25:00 by sciencejoy
[Monte C ] [已完结][关贴]Towhee能模拟气体吸附等温线吗?    ( 1 2 ) (评阅+1) (10/2121) 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) (0/407) 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) (3/648) 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) (1/238) 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) (0/292) 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) (0/200) 等待蝉唱 2013-12-09 2013-12-09 15:24:54 by 等待蝉唱
[Gromacs ] 分子模拟投中国生物医学工程学报 (评阅+1) (2/620) 蓝洛水seven 2013-12-09 2013-12-09 14:40:35 by hanhan1020
[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) (3/557) 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) (2/467) 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) (9/1833) 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) (2/369) 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) (3/820) 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) (0/367) SunnyRain0.0 2013-12-08 2013-12-08 20:42:52 by SunnyRain0.0
[MS] 阴离子与氢键相互作用模拟 (评阅+1) (3/991) staventchoke 2013-12-07 2013-12-08 01:34:56 by ohcesc
[MS] [已完结][关贴]求牛人指导!!! (评阅+6) (4/650) 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) (0/239) 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) (9/1210) huzi2359 2013-12-05 2013-12-07 17:34:02 by 蓝水卫士
[CPMD/CP ] CPMD怎么得到周期性的轨迹文件? (评阅+1) (1/775) voleyes 2013-11-30 2013-12-07 11:02:45 by vallen
[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) (1/206) 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 (5/1094) 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) (9/4029) ddwy 2013-12-03 2013-12-06 15:26:28 by ddwy
[MS] MS中如何将一个体系按一定速率升温 (评阅+6) (8/1405) BlackArcher 2013-11-29 2013-12-06 12:41:28 by BlackArcher
[其他] [已完结][关贴]dsv 格式问题 (0/224) 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) (4/2111) 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) (8/4347) 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) (7/1318) 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) (3/1205) 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 (1/345) snake3208 2013-08-07 2013-12-05 20:35:23 by 船遇
[其他] [已完结]求助!spartan软件 (1/679) 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) (0/279) 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) (10/1650) 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 (1/272) hjfdgg 2012-05-12 2013-12-05 05:26:55 by 向东1988
[Monte C ] 【转帖】动力学蒙卡方法(KMC)模拟薄膜生长的基本知识    ( 1 2 ) (评阅+2) (11/4926) zyj8119 2010-09-11 2013-12-04 17:46:47 by 奈落之夜
[Gromacs ] 蛋白质动力学模拟有什么中文核心可以投呀。 (2/533) wanglang1987 2013-06-17 2013-12-04 17:28:52 by wanglang1987
[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) (0/381) 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 (6/2718) 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) (4/1093) 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) (1/345) 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) (0/2279) 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
[Gromacs ] [已完结][关贴]分子动力学投稿杂志咨询 (评阅+1) (7/1409) 蓝洛水seven 2013-11-18 2013-12-03 16:55:46 by 蓝洛水seven
[专家会诊] [已完结][关贴]MD模拟粘度问题Green-Kubo公式和Einstein都是如何推倒的? (评阅+6) (0/776) 清风染翠 2013-12-03 2013-12-03 14:48:20 by 清风染翠
[MS] [已完结][关贴]MS6.0中forcite模块中shear计算剪切粘度 (评阅+6) (1/2032) 杰克斯派洛王 2013-12-03 2013-12-03 14:05:08 by hanhan1020
[Gromacs ] [已完结][关贴]聚合物100nm界面模型建立 (评阅+1) (2/733) 贺仪 2013-12-02 2013-12-03 13:47:10 by 贺仪
[专家会诊] [已完结]计算发射波长为-2181.25 nm,为什么会出现负值,什么原因呢? (7/1820) shangxh 2012-10-18 2013-12-03 12:34:57 by shangxh
[MS] [已完结][关贴]关于分子模拟学的单位 (评阅+6) (5/1099) BlackArcher 2013-12-02 2013-12-03 12:02:32 by BlackArcher
[其他] [已完结]急求本地批量计算蛋白质相互作用面信息的方法或资源 (评阅+1) (2/425) 伊恋er 2013-12-02 2013-12-03 10:16:14 by yaozhq
[MS] [已完结]请问,分子动力学模拟和分子力学模拟的区别是什么呢? (7/2772) 树栽子047 2013-10-09 2013-12-02 20:11:16 by carldxl
[Gromacs ] [已完结][关贴]分子模拟中体系势能和总能量为很大的正值 (评阅+1) (8/2216) linyusuc 2013-11-29 2013-12-02 16:30:04 by cg陈
[LAMMPS/ ] [已完结][关贴]关于bond_coeff的一个问题 (评阅+1) (1/2082) honghaier90 2013-11-06 2013-12-02 15:54:16 by ddll_slsl
[其他] [已完结][关贴]想计算蛋白质氨基酸中的B-factor, (评阅+1) (2/1877) 魂牵江南 2013-11-29 2013-12-02 15:51:11 by asdfasdf159
[LAMMPS/ ] [已完结][关贴]lammps pair_style hybrid 命令报错,求助 (评阅+1) (2/3266) 南冰梓 2013-11-13 2013-12-02 15:48:30 by ddll_slsl
[LAMMPS/ ] Lz分子动力模拟中怎么找到原子间的势能 (评阅+1) (1/676) Ballendtoo 2013-11-27 2013-12-02 15:43:38 by ddll_slsl
[LAMMPS/ ] [已完结][关贴]求指导fix rigid的错误 (评阅+5) (2/515) Alauvia 2013-11-23 2013-12-02 15:41:06 by ddll_slsl
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