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[热点] 2024 - Chemistry and Pharmacology of Drug Discovery asymmsyn 2026-01-22 刚刚
[专家会诊] [已完结]同源建模时怎样计算一致性和相似性 (4/1293) 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 (3/1572) 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 (5/1060) 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 (7/1310) 学员ZyYqLa 2012-10-27 2012-11-22 12:54:03 by xujc1983
[MS] [已完结]求高人指点 (0/175) 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 (0/779) 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。。 (0/213) 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。。 (0/337) zxl523 2012-11-21 2012-11-21 15:23:18 by zxl523
[Gromacs ] [已完结]mdcrd文件出现问题 (1/598) 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 (0/989) 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 (0/338) 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? (0/610) 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? (2/475) 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? (4/5918) 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 (0/509) 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? (1/1440) iampirate 2012-11-18 2012-11-20 16:18:00 by iampirate
[Gromacs ] [已完结]请教VMD中measure hbonds (3/1258) zhongyunxia 2012-11-19 2012-11-20 16:14:56 by wally8962
[MS] [已完结]请教分子式符号 (1/500) 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 (2/396) 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? (1/353) truewz 2012-11-19 2012-11-20 10:01:08 by tsh8167
[MS] [已完结]MS可以测量长度吗? (7/1239) 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 (1/443) 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 (0/291) 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 (1/985) 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! (1/1051) 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) (2/529) striving 2012-11-16 2012-11-19 09:37:36 by striving
[其他] 模拟的人有福了:英国悬赏1000英镑求解“为何热水比冷水冻结快”    ( 1 2 ) (18/2359) coolrainbow 2012-07-04 2012-11-19 05:24:37 by lisuperyao
[其他] 我们课题组招聘,MD 模拟方面——最好精于NAMD gromacs 做生物分子模拟    ( 1 2 ) (55/3418) jiaoyixiong 2012-05-16 2012-11-18 20:52:17 by mingmbm
[MS] CASTEP和VASP分别计算形成焓的对比 (0/1553) djz0924 2012-11-18 2012-11-18 19:03:15 by djz0924
[MS] [已完结]电场作用下的吸附 (1/576) 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 (3/842) 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? (4/649) 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 (0/222) 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? (7/2355) 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 (3/2413) 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? (1/1341) 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, (0/992) 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 ) (10/864) ym23 2012-11-02 2012-11-16 10:14:11 by ym23
[LAMMPS/ ] lammps运行错误 (18/2595) badercao 2012-11-01 2012-11-16 08:21:14 by yuanxm
[专家会诊] [已完结]pdb (1/309) 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 ) (12/2894) 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) (0/177) 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 (8/3120) 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 (0/2119) 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 (2/395) ch745236751 2012-11-13 2012-11-15 10:56:39 by 王小一
[Gromacs ] [已完结]pdb2gmx出错 (5/956) 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! (4/1503) herarysara 2012-11-13 2012-11-14 20:05:07 by herarysara
[DS/Syby ] 反向分子对接出现的问题 (9/2017) wohaihao 2012-07-19 2012-11-14 19:13:45 by xufund
[DS/Syby ] [已完结]RUN AUTOGRID时报错ERROR2 (6/1756) 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 (6/1293) 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 (0/192) 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 (1/713) 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 (0/662) totoro1992 2012-11-13 2012-11-13 21:34:17 by totoro1992
[Gromacs ] [已完结]gromacs 立场问题 (0/471) 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?? (1/991) luosizuo 2012-11-13 2012-11-13 15:44:22 by y130701
[MS] [已完结]orientation distribution function怎么分析? (8/1056) 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 (2/529) 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? (0/440) shengxiang 2012-11-13 2012-11-13 08:58:35 by shengxiang
[LAMMPS/ ] 问题已解决,谢谢关注 (8/527) 忽忽apple 2012-11-13 2012-11-13 08:54:00 by heibi
[ME/Gulp] breathing shell model (模拟EPI+1)(10/1699) pengyong2010 2011-05-30 2012-11-13 07:36:47 by meiqingqing
[资源] [已完结]求dssp程序 (1/456) 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) (3/1463) 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 (6/1508) zhao0916 2012-10-26 2012-11-12 13:17:54 by thucs
[专家会诊] [已完结]CASTEP MD方法 (0/241) 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 (1/746) panxuan00 2012-10-31 2012-11-12 09:30:48 by panxuan00
[MS] [已完结]DPD施加剪切 (0/428) 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? (4/684) 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 (1/759) crispsoft 2012-10-13 2012-11-10 16:49:49 by isus8826
[Monte C ] [已完结]分子移动 (0/347) 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 (3/1453) 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? (0/417) 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 (0/224) 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 (1/2412) 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? (7/989) 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~ (0/363) 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 (0/205) 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 (2/750) lpz610 2012-10-08 2012-11-09 09:02:40 by lpz610
[MS] [已完结][关贴]MS建模求助 (9/763) lucaca 2012-11-07 2012-11-09 08:57:49 by chaizhm
[MS] [已完结]MS建模—分子间的键合发生变化怎么办? (1/563) 无声地活着 2012-04-18 2012-11-09 06:37:22 by sunyulong
[其他] [已完结]DNA2.0 (0/420) zhoumin1108 2012-11-08 2012-11-08 22:28:38 by zhoumin1108
[MS] [已完结]xp上安装ms5.5出现installer terminated prematurely(如图) (3/604) yy1408 2012-09-24 2012-11-08 20:29:45 by 水木清清
[其他] [已完结]新手求助!gaussian优化运行时,L508出错,求解。 (0/352) 三寨叶子 2012-11-08 2012-11-08 15:35:11 by 三寨叶子
[MS] [已完结]打开MS文件出现的问题 (2/291) alysa7 2012-11-07 2012-11-08 15:30:46 by alysa7
[MS] [已完结]怎样在MS中自定义树形结构? (4/620) lucaca 2012-11-07 2012-11-08 13:25:10 by zyj8119
[MS] [已完结]怎样获取晶体常数 (1/306) zhongyunxia 2012-11-08 2012-11-08 12:01:38 by chaizhm
[Gromacs ] [已完结]生成psf时,出现unknown atom type    ( 1 2 ) (14/1595) xiaoze123 2012-10-16 2012-11-08 06:05:59 by blueybz
[专家会诊] [已完结]请问那种软件可以实现这种功能。 (3/580) Bessel 2012-11-06 2012-11-07 23:04:05 by Bessel
[MS] [已完结]大家看一下这个图怎么做啊? (7/674) liuqiancheng 2012-10-26 2012-11-07 22:41:36 by 水月笼沙
[MS] [已完结]困难啊,需要支援~~~~~~~ (2/346) zxl523 2012-11-06 2012-11-07 22:14:03 by 1234liang
[Gromacs ] [已完结]Multi-Conformation Continuum Electrostatics (0/288) 飞鱼飞鱼 2012-11-07 2012-11-07 19:57:01 by 飞鱼飞鱼
[Gromacs ] [已完结]NAMD和AMBER在大规模并行下的计算速度问题 (3/844) koalabear8655 2012-10-19 2012-11-07 19:19:15 by wally8962
[CPMD/CP ] [已完结]输出文件的自旋密度疑问 (1/1005) z6242948 2012-11-07 2012-11-07 16:47:04 by liujx2010
[MS] [已完结]minimize出错,求助! (0/578) xukm 2012-11-07 2012-11-07 15:41:26 by xukm
[Gromacs ] [已完结][关贴]求AMBER中离子液体的力场参数文件 (0/834) cfmzxf84 2012-11-07 2012-11-07 14:35:13 by cfmzxf84
[CPMD/CP ] [已完结]CPMD几何优化的问题 (1/1135) ewan 2012-05-17 2012-11-07 14:00:12 by z6242948
[DS/Syby ] [已完结]着急啊 (0/291) zhchliu 2012-11-07 2012-11-07 10:20:02 by zhchliu
[其他] [已完结]没有合适的模板只有序列还有方法模建么? (2/285) 黑藻先生 2012-11-04 2012-11-06 21:55:46 by 黑藻先生
[Monte C ] 【转帖】中科院理论物理所课程:分子建模与模拟导论    ( 1 2 ) (评阅+4) (14/2174) zyj8119 2010-12-16 2012-11-06 21:35:20 by weihaidoctor
[其他] [已完结]100-200纳米的胶体颗粒在固壁面上沉积成膜过程仿真用哪个软件更好 (3/995) youzi009 2012-10-08 2012-11-06 19:58:41 by jiaoyixiong
[DS/Syby ] [已完结]AUTODOCK对接结果生成的dlg文件无法读取,求帮助 (2/475) lchc1985 2012-11-06 2012-11-06 19:31:12 by lchc1985
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