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[热点] 职称评审,求友友推荐见刊最快的期刊 工厂打螺丝 2026-08-12 刚刚
[MS] [已完结]Discover 模块计算热力学性能 (1/388) liuqiang2270 2012-10-10 2012-11-28 15:57:22 by liuqiang2270
[MS] [已完结]求MS轨迹文件原子坐标处理方法 (3/1461) herarysara 2012-11-27 2012-11-28 14:09:02 by herarysara
[Gromacs ] [已完结]运行网上gromacs教程中溶菌酶的例子出错,急求高手解救 (1/822) mikle苏 2012-09-06 2012-11-28 13:27:52 by coolyuu
[Gromacs ] [已完结]活性中心含双铜的蛋白酶的分子动力学模拟(Amber) (6/1684) floon 2012-11-20 2012-11-28 12:41:18 by lujunyan1118
[MS] [已完结][关贴]为什么建模之后,盒子里面的分子中原子都散了。 (4/605) zxl523 2012-11-26 2012-11-28 09:00:10 by zxl523
[资源] [已完结]求金属水合离子半径数据 (1/1145) 南工大njut 2012-11-27 2012-11-28 08:06:20 by wyzwyz0088
[DS/Syby ] [已完结]求推荐创建pdbqt、gpf文件的在线工具 (4/1248) xufund 2012-11-23 2012-11-27 22:57:25 by xufund
[Gromacs ] [已完结]谷胱甘肽MD (5/953) xulinan 2012-11-25 2012-11-27 22:49:16 by lujunyan1118
[Monte C ] [已完结]MuSic 代码实用ifort 编译器 安装出现警告 (1/499) hplc303 2012-11-27 2012-11-27 22:45:40 by yaozhq
[MS] [已完结]点焊机点焊两块钢板,铜质焊头,如何模拟高温时铜原子在钢板上分布? (0/233) donnywei 2012-11-27 2012-11-27 21:25:45 by donnywei
[MS] [已完结]求助 (0/192) hitchenjuan 2012-11-27 2012-11-27 10:42:17 by hitchenjuan
[Gromacs ] [已完结]dcd文件太大,电脑不反应    ( 1 2 ) (11/2494) xingyanfei 2012-11-11 2012-11-27 10:42:02 by superdirac
[Monte C ] [已完结]MCsportion里fixed pressure运行完以后模型可以用到MD里吗? (5/722) tylgd2011 2012-11-21 2012-11-27 09:38:14 by tylgd2011
[Gromacs ] [已完结]RESP电荷的处理 (1/992) zxl102623 2012-11-01 2012-11-26 22:25:07 by lujunyan1118
[Gromacs ] [已完结]gromacs回复审稿人求助 (1/616) 0419xuhao 2012-11-13 2012-11-26 22:15:58 by lujunyan1118
[Gromacs ] [已完结]amber中nmode 提取文件问题 (3/630) 倩430 2012-11-13 2012-11-26 19:21:33 by 倩430
[MS] [已完结]我用MS进行npt系综模拟,模拟完成后想知道盒子的大小,没找到输出盒子边长的文件啊? (1/1050) xuezhilang 2012-11-22 2012-11-26 17:12:46 by jinlong8937
[MS] [已完结]ms分子模拟 (3/641) 叶仙儿 2012-11-17 2012-11-26 15:21:54 by 叶仙儿
[LAMMPS/ ] [已完结]lammps中怎么创建水分子 (2/3799) yangwenbin99 2012-11-25 2012-11-25 15:32:33 by jiaoyixiong
[专家会诊] [已完结]使用pymol做了图片投文章的时候还用感谢pymol的创始人吗? (6/2069) pkuchemistry 2012-10-02 2012-11-24 20:14:46 by lrf1980
[其他] [已完结]请教Pymol 问题 (5/1727) rucxiaot 2012-11-15 2012-11-24 19:47:33 by wl507586
[Gromacs ] [已完结]amber运行错误。。volume of ucell too big, too many subcells (0/736) mojie1987 2012-11-24 2012-11-24 17:16:41 by mojie1987
[MS] [已完结]怎么用chembio 3D计算链长啊 (0/714) BiDe 2012-11-24 2012-11-24 15:44:16 by BiDe
[Gromacs ] [已完结]在xleap中对一个已读取的pdb文件中的某些氨基酸进行编辑 (6/2145) 紫漠残星 2012-11-22 2012-11-24 13:20:20 by yyuan8658
[MS] [已完结]求助 为什么我安装的MS中画不上原子或者是分子环呢 (3/1774) dolphin_star 2012-11-21 2012-11-24 08:42:21 by dolphin_star
[MS] [已完结]反应力场 (3/1505) fyz_ok 2012-11-22 2012-11-23 20:37:32 by o58285880
[MS] [已完结]求大侠们指点一下小弟关于MS方面的应用,非常感谢 (2/358) qianshuiyuan 2012-11-23 2012-11-23 14:30:23 by qianshuiyuan
[LAMMPS/ ] [已完结]LAMMPS中Gnuplot的使用 (6/1589) WJ-MS 2012-11-19 2012-11-23 11:30:23 by tracel
[Gromacs ] [已完结]二硫键模型构建 (3/1420) xulinan 2012-11-22 2012-11-23 10:01:31 by xulinan
[其他] [已完结]The Art of Molecular Dynamics Simulation中单位制转换的问题 (0/300) ppstv 2012-11-23 2012-11-23 09:30:20 by ppstv
[专家会诊] [已完结]同源建模时怎样计算一致性和相似性 (4/1453) patent 2012-11-22 2012-11-23 08:19:32 by zh1987hs
[专家会诊] [已完结]pymol中的操作问题 (3/1817) 静谷睿水 2012-11-22 2012-11-22 21:28:13 by pkuchemistry
[Gromacs ] [已完结]xp下装red cup的linux,是选择双系统还是虚拟机 (5/1245) zhouzhiguang 2012-11-05 2012-11-22 17:37:08 by arthurii
[MS] [已完结]如何用动力学模拟做出键长随时间变化图 (7/1531) 学员ZyYqLa 2012-10-27 2012-11-22 12:54:03 by xujc1983
[MS] [已完结]求高人指点 (0/219) 张美玲加油哦 2012-11-22 2012-11-22 11:38:57 by 张美玲加油哦
[Gromacs ] [已完结]关于离子液体的阳离子的力场参数请教 (0/826) cfmzxf84 2012-11-22 2012-11-22 10:29:35 by cfmzxf84
[MS] [已完结][关贴]求论文题目及论文。。 (0/247) zxl523 2012-11-22 2012-11-22 09:50:58 by zxl523
[MS] [已完结][关贴]求论文题目及论文。。 (0/367) zxl523 2012-11-21 2012-11-21 15:23:18 by zxl523
[Gromacs ] [已完结]mdcrd文件出现问题 (1/673) suiyitx 2012-11-20 2012-11-21 15:19:36 by yaozhq
[专家会诊] [已完结]如何使用DMol3组件计算溶剂化焓 (0/1043) freetian 2012-11-21 2012-11-21 10:39:34 by freetian
[MS] [已完结]请问各位大神ms如何模拟水在高压下进入疏水管道 (0/410) yumuchunnuaa 2012-11-20 2012-11-20 22:37:52 by yumuchunnuaa
[MS] [已完结]sorption模块算吸附等温线的时候怎么确定平衡步数是多少呢? (0/663) chi11366 2012-11-20 2012-11-20 22:11:51 by chi11366
[其他] [已完结]请问这样的图是用什么软件做的? (2/555) shabeir 2012-11-20 2012-11-20 22:07:36 by shabeir
[其他] [已完结]fortran中Idint函数是什么意思? (4/6191) cumt蝈蝈 2012-11-17 2012-11-20 18:30:16 by cumt蝈蝈
[MS] [已完结]MS中的MM+力场 (0/547) wgz_tju 2012-11-20 2012-11-20 16:45:37 by wgz_tju
[其他] [已完结]logistic函数拟合,如何计算相关系数CC,均方跟误差RMSE,离散率OR? (1/1497) iampirate 2012-11-18 2012-11-20 16:18:00 by iampirate
[Gromacs ] [已完结]请教VMD中measure hbonds (3/1444) zhongyunxia 2012-11-19 2012-11-20 16:14:56 by wally8962
[MS] [已完结]请教分子式符号 (1/564) wgz_tju 2012-11-20 2012-11-20 11:02:28 by yalefield
[MS] [已完结]怎么把MS里会动的分子模型保存到桌面 (2/453) zhl1987091 2012-11-20 2012-11-20 10:08:00 by zhl1987091
[MS] [已完结]怎么计算石墨的声子谱? (1/414) truewz 2012-11-19 2012-11-20 10:01:08 by tsh8167
[MS] [已完结]MS可以测量长度吗? (7/1489) chi11366 2012-11-18 2012-11-20 09:45:15 by chi11366
[MS] [已完结]Morphology预测形貌出现warning,求解决 (1/471) scdxchenfang 2012-11-14 2012-11-19 20:52:26 by scdxchenfang
[专家会诊] [已完结]求助:计算聚合物动态力学性能所用软件 (0/338) 芙兰朵露 2012-11-19 2012-11-19 16:28:13 by 芙兰朵露
[MS] [已完结]怎么验证晶体结构及求其晶胞参数 (1/1043) zhongyunxia 2012-11-16 2012-11-19 10:11:45 by GTF1902
[LAMMPS/ ] [已完结][关贴]求lammps 计算neb的in文件 和data文件例子,最好有点说明! (1/1114) herarysara 2012-11-17 2012-11-19 10:11:38 by herarysara
[专家会诊] [已完结]Gold结果分析(求助) (2/625) striving 2012-11-16 2012-11-19 09:37:36 by striving
[MS] [已完结]电场作用下的吸附 (1/641) 雨中树下 2012-04-10 2012-11-18 16:36:59 by zxn761
[MS] [已完结]如何判断势能面的类型 (3/996) 510528246 2012-11-12 2012-11-17 22:04:55 by lyq0120
[DS/Syby ] [已完结]DS 跑着跑着到了15个小时,cpu利用率变为1%-5%。怎么回事? (4/778) zhouzhiguang 2012-11-08 2012-11-17 12:31:39 by yaozhq
[其他] [已完结]【谢谢】乙炔在273k和295k的分子横截面积是多少?谢谢啦 (0/255) kai861218 2012-11-16 2012-11-16 15:49:47 by kai861218
[专家会诊] [已完结]有个概率公式,有积分。用啥软件可以实现呢? (7/2693) nesimon 2012-07-13 2012-11-16 13:18:46 by yaozhq
[DS/Syby ] [已完结]ds做对接后怎么把配体和蛋白一起导出作为一个复合物结构 (3/2566) xuenihao 2012-07-04 2012-11-16 12:48:15 by 相约南药
[MS] [已完结]高手请进:DMol3计算时,Binding Energy的选取? (1/1421) joyce83 2012-02-11 2012-11-16 11:41:45 by jianying8996
[专家会诊] [已完结]请问,量子计算中,VSE;ASE;VDE;ADE这四个概念有什么区别,计算公式分别是什么啊, (0/1057) 梦影无痕 2012-11-16 2012-11-16 10:24:46 by 梦影无痕
[专家会诊] [已完结]敢问国内 做势和用势 比较成功的是那些课题组?    ( 1 2 ) (10/1064) ym23 2012-11-02 2012-11-16 10:14:11 by ym23
[专家会诊] [已完结]pdb (1/360) atonement 2012-11-15 2012-11-16 08:20:45 by luxujie3
[专家会诊] [已完结]新手求助有关RMSD,RMSF等计算    ( 1 2 ) (12/3378) lmzxcom1 2012-08-17 2012-11-16 08:18:21 by 相约南药
[资源] [已完结][关贴]求文章 (评阅-1) (0/205) xwf529 2012-11-15 2012-11-15 20:38:36 by xwf529
[DS/Syby ] [已完结]新手autodock中autogrid出现问题 (8/3651) kevinly123 2012-11-13 2012-11-15 17:38:48 by longdlut
[MS] [已完结]如何统计氢键的个数 (0/2188) shaxijiang 2012-11-15 2012-11-15 11:07:25 by shaxijiang
[MS] [已完结][关贴]MgO/SiO2氧化物催化剂怎么建模啊?有人做过么 (2/449) ch745236751 2012-11-13 2012-11-15 10:56:39 by 王小一
[Gromacs ] [已完结]pdb2gmx出错 (5/1070) piaoluodeyu 2012-11-14 2012-11-15 10:48:24 by yaozhq
[LAMMPS/ ] [已完结]求lammps立场设定与立场参数答疑! (4/1690) herarysara 2012-11-13 2012-11-14 20:05:07 by herarysara
[DS/Syby ] [已完结]RUN AUTOGRID时报错ERROR2 (6/1934) totoro1992 2012-11-09 2012-11-14 18:55:38 by longdlut
[MS] [已完结]困惑!求高手解答!格式后缀.xsd的文件中画的结构显示不出来 (6/1519) 庐陵悍马 2012-11-09 2012-11-14 15:47:44 by 庐陵悍马
[Gromacs ] [已完结]求源程序 (0/222) lisuhong 2012-11-14 2012-11-14 13:02:42 by lisuhong
[其他] [已完结]询问北京大学凝聚态物理专业2011年毕业博士 覃睿 的联系方式 (1/784) microweiliu 2012-08-22 2012-11-14 07:11:46 by 徐谊
[DS/Syby ] [已完结]autodock设置ligand时报错 (0/705) totoro1992 2012-11-13 2012-11-13 21:34:17 by totoro1992
[Gromacs ] [已完结]gromacs 立场问题 (0/514) abigrabbit 2012-11-13 2012-11-13 19:55:55 by abigrabbit
[CPMD/CP ] [已完结]用高斯做BOMD经典轨迹模拟解离时,如何定义解离路径和终止条件?? (1/1066) luosizuo 2012-11-13 2012-11-13 15:44:22 by y130701
[MS] [已完结]orientation distribution function怎么分析? (8/1209) 江xiao鱼 2012-10-30 2012-11-13 14:33:07 by ter20
[其他] [已完结]请问谁那有InsightII 生物分子模拟软件 (2/581) yyp_123 2012-11-12 2012-11-13 14:03:16 by yyp_123
[Gromacs ] [已完结]Charmm停电中断后能否继续计算? (0/483) shengxiang 2012-11-13 2012-11-13 08:58:35 by shengxiang
[资源] [已完结]求dssp程序 (1/505) wz2010 2012-11-02 2012-11-12 22:03:11 by softmatter
[专家会诊] [已完结][关贴]求静态结构因子的计算程序(最好是fortran) (3/1588) lyw867 2012-10-18 2012-11-12 18:44:38 by zx2456
[LAMMPS/ ] [已完结][关贴]Lammps 模拟出现问题 (6/1763) zhao0916 2012-10-26 2012-11-12 13:17:54 by thucs
[专家会诊] [已完结]CASTEP MD方法 (0/276) xxjiang 2012-11-12 2012-11-12 11:17:19 by xxjiang
[其他] [已完结]有好心人帮忙计算下两个化合物的电子云密度 (1/799) panxuan00 2012-10-31 2012-11-12 09:30:48 by panxuan00
[MS] [已完结]DPD施加剪切 (0/463) tsadaye 2012-11-11 2012-11-11 10:22:27 by tsadaye
[MS] [已完结]xtd文件跑动力学用的是哪一帧呢? (4/798) hunanxuyang 2012-04-05 2012-11-11 05:50:56 by hunanxuyang
[DS/Syby ] [已完结]关于G-H方法验证药效团的有效性的问题 (1/830) crispsoft 2012-10-13 2012-11-10 16:49:49 by isus8826
[Monte C ] [已完结]分子移动 (0/388) 如水.101 2012-11-10 2012-11-10 14:41:51 by 如水.101
[DS/Syby ] [已完结]Pymol结果分析请教 (3/1618) yiqin 2012-11-08 2012-11-10 12:50:38 by 苹果变菠萝
[DS/Syby ] [已完结]ADT中write pdb时选中sort nodes作用是什么? (0/457) Hustress 2012-11-09 2012-11-09 17:59:12 by Hustress
[Gromacs ] [已完结]amber中的alanine scanning计算结果中的Delta delta G (0/263) muniu 2012-11-09 2012-11-09 14:35:00 by muniu
[LAMMPS/ ] [已完结]求助lsf集群上提交lammps任务的脚本 (1/2530) wanglianli136 2012-11-09 2012-11-09 12:17:27 by 苍穹1989
[其他] [已完结]蛋白PDB数据中间的10个残基没有数据,有什么软件能加上吗? (7/1259) caozx 2012-11-07 2012-11-09 10:06:56 by caozx
[MS] [已完结]ms建模,lammps计算,中间的转换问题求助,拜托了~ (0/410) qshi 2012-11-09 2012-11-09 09:44:16 by qshi
[LAMMPS/ ] [已完结][关贴]DL_POLY对体系进行 “优化+MD” 的批处理过程 (0/240) voleyes 2012-11-09 2012-11-09 09:30:55 by voleyes
[Gromacs ] [已完结]用NAMD软件做SMD时一些问题 (2/865) lpz610 2012-10-08 2012-11-09 09:02:40 by lpz610
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