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[热点] 怎么删帖子啊 缝曦1000 2026-04-04 刚刚
[DS/Syby ] [已完结]求sybyl的licence (2/538) yshh6 2013-01-25 2013-01-25 21:26:44 by 鸡腿套餐
[专家会诊] [已完结]请问如何将多聚体分开 (4/1406) caochen 2012-10-23 2013-01-25 16:10:57 by zy2376
[LAMMPS/ ] [已完结]nanotube collapses and then resotres in DL_Poly simulation (0/227) fwang2011 2013-01-24 2013-01-24 22:43:21 by fwang2011
[MS] [已完结]用MS模拟原子氧冲刷的问题 (1/258) adiu 2013-01-23 2013-01-24 17:05:00 by adiu
[MS] [已完结][关贴]求用materials studio能计算一个设定的二面角与分子总能量的变化曲线吗？金币可追加！ (0/292) yongbinz 2013-01-24 2013-01-24 16:52:35 by yongbinz
[Hyperch ] [已完结]分子间氢键可行性 (0/599) 许灵艳-1230 2013-01-24 2013-01-24 15:53:51 by 许灵艳-1230
[Gromacs ] [已完结]急求，vmd取残基命令！ (2/1298) zhongyunxia 2012-06-18 2013-01-24 13:30:58 by zhongyunxia
[其他] [已完结][关贴]求MOE，最好能够在win8运行的，谢谢哦！ (3/319) 伊恋er 2013-01-23 2013-01-24 12:48:39 by 伊恋er
[专家会诊] [已完结]求助，是否有哪个蛋白质三维软件可以特定改变某个氨基酸的某个基团    ( 1 2 ) (18/1741) 转基因猴子 2013-01-20 2013-01-24 10:59:36 by 转基因猴子
[专家会诊] [已完结]能否动力学模拟溶剂挥发过程 (0/532) qustwq 2013-01-24 2013-01-24 09:46:48 by qustwq
[MS] [已完结]求助Ti4O7的晶体结构具体信息 (1/583) haonan609 2013-01-22 2013-01-24 02:24:37 by 275560060
[LAMMPS/ ] [已完结][关贴]NEMD方法计算热导率    ( 1 2 ) (11/3772) 倔强的坚果墙 2012-12-24 2013-01-23 23:43:42 by zhihaikou
[专家会诊] [已完结]谁会用Chem3D 里面的MM2 功能计算那个分子的之间的距离 (0/2856) lukewin 2013-01-23 2013-01-23 23:27:43 by lukewin
[DS/Syby ] 【求助】win7下安装AUTODOCK出现问题，求帮助(附截图） (17/3518) igg061130172 2011-03-19 2013-01-23 17:34:28 by 笨笨春夏秋冬
[MS] MS中把两种分子放到一起的建模方法有几种。 (2/1769) amynihao 2013-01-23 2013-01-23 15:24:01 by 孤独中生存
[Monte C ] [已完结]求towhee软件 (1/989) differe 2013-01-22 2013-01-22 23:08:17 by Bessel
[MS] [已完结]约化能量公式 (3/880) cg陈 2013-01-21 2013-01-22 22:24:03 by chembetsey
[LAMMPS/ ] DL-POLY力场文件中钠离子所带电荷量是多少 (2/1247) 没味道的味道 2013-01-21 2013-01-22 18:35:22 by tianlangxingaa
[MS] [已完结]discover模块中 Dipole moment correlation function analysis 老是失败? (1/354) wjlsj258 2013-01-22 2013-01-22 16:33:15 by wjlsj258
[MS] [已完结]ms中的弛豫问题 (1/2670) dal208 2013-01-22 2013-01-22 16:14:22 by dal208
[MS] [已完结]discover模块中 Dipole moment correlation function analysis 老是失败? (0/193) wjlsj258 2013-01-22 2013-01-22 15:29:02 by wjlsj258
[Monte C ] 【讨论】MedeA中有个模块叫做GIBBS，也可以做GCMC,谁用过？ (4/980) zyj8119 2010-10-21 2013-01-22 13:16:18 by sdzhang2010
[DS/Syby ] [已完结]protein-protein docking (1/517) ygyxyz89 2013-01-21 2013-01-22 11:07:54 by longlongdlut
[LAMMPS/ ] [已完结]有哪个力场计算热导率的时候不用考虑声子热导率与电子热导率的耦合吗？ (8/1660) 熊猫海棠 2013-01-21 2013-01-22 10:03:34 by 熊猫海棠
[LAMMPS/ ] [已完结]请问界面散射和表面散射的研究对象是什么？能否得到填充了金属纳米线的CNT的热导率？ (4/1329) 熊猫海棠 2013-01-21 2013-01-22 10:01:36 by 熊猫海棠
[MS] [已完结]求帮忙把ms中xsd/pdb/cif文件转换成me可读的文件 (0/362) expt 2013-01-21 2013-01-21 20:37:53 by expt
[LAMMPS/ ] [已完结]关于fix wall/region命令的问题 (7/2882) zhang_jaj 2013-01-16 2013-01-21 14:28:17 by zhang_jaj
[专家会诊] [已完结]应用在分子弛豫时，共轭梯度法（CG）如何编程实现？ (7/873) byin 2013-01-18 2013-01-21 13:13:29 by yalefield
[专家会诊] [已完结]用MOE做完对接后，小分子和酶的复合物的molecular dynamics study具体怎么做啊？ (1/566) lirenshi 2013-01-19 2013-01-21 12:41:44 by lrf1980
[MS] [已完结]概念求助 数值模拟和分子模拟是个什么关系？ (3/1276) McQueen2008 2013-01-17 2013-01-21 12:12:29 by raindick1231
[Gromacs ] [已完结]请问gromacs能装到32位的linux系统上吗？比如32位suse (1/387) mengsk 2013-01-20 2013-01-21 09:55:11 by jiaoyixiong
[专家会诊] [已完结]有没有熟悉CHARMM的同志，特别是对GSBP处理 (0/234) lrf1980 2013-01-20 2013-01-20 22:03:18 by lrf1980
[LAMMPS/ ] [已完结]LAMMPS运行结果出现nan    ( 1 2 3 ) (20/4552) WJ-MS 2012-12-07 2013-01-20 20:47:14 by Bessel
[DS/Syby ] [已完结]以靶酶结合腔设计并合成的小分子抑制剂，细胞水平活性很好，但该酶水平上很差，疑问 (8/2476) bxguang130 2011-08-11 2013-01-20 19:19:45 by p53jun
[其他] [已完结]求助几何问题 (0/162) akang9 2013-01-20 2013-01-20 17:14:02 by akang9
[Gromacs ] [已完结]水中溶菌酶教程遇见错误，求指教 (5/1348) s6120610021 2013-01-17 2013-01-20 16:56:19 by s6120610021
[专家会诊] [已完结]关于最速下降法精度的问题 (6/744) byin 2013-01-19 2013-01-20 16:35:24 by byin
[DS/Syby ] [已完结]sybyl-x能量优化 和clogP 求助 谢谢！ (1/851) 啄木鸟NO.1 2013-01-19 2013-01-20 15:09:46 by 药物设计
[Gromacs ] [已完结]求Gromacs/amber/NAMD中计算amber力场的代码 (0/485) 暖水袋 2013-01-18 2013-01-18 15:05:42 by 暖水袋
[Gromacs ] [已完结]自由能计算的迷惑？ (2/664) zhengpc3505 2013-01-18 2013-01-18 14:42:12 by zhangroger
[MS] [已完结][关贴]Molecular Operating Environment 2008.10 如何配置多处理器运算？ (0/474) schalke 2013-01-18 2013-01-18 10:56:03 by schalke
[其他] [已完结]Cu的旋轨耦合系数是多少？ (1/291) luckyzly 2013-01-18 2013-01-18 10:08:06 by ddll_slsl
[LAMMPS/ ] 【讨论】关于fix heat (1/797) relonfbq 2011-01-14 2013-01-18 07:03:34 by zhihaikou
[MS] [已完结][关贴]打开MS的时候为什么老是出现安装OFFICE的操作 (2/407) anmin0127 2013-01-17 2013-01-17 20:20:50 by anmin0127
[专家会诊] [已完结]NAMD模拟过程的原子坐标 (3/1033) liulovewang 2013-01-16 2013-01-17 20:05:44 by fhh2626
[其他] 【求助】请问如下的分子作用机理示意图是如何做的 (4/957) adsl218 2010-05-12 2013-01-17 19:43:09 by xinyunzhuzhu
[MS] [已完结]如何利用MS模拟层状结构 (1/1091) 未央于一 2013-01-17 2013-01-17 09:52:47 by ddll_slsl
[专家会诊] [已完结]自由能计算 (4/937) fcg200808 2013-01-15 2013-01-16 15:59:15 by fcg200808
[MS] [已完结]MS6.1的license，哪位大神会编或有啊，急需啊，谢谢大伙了 (2/405) Lzp425496024 2013-01-15 2013-01-16 09:16:04 by suihg
[DS/Syby ] [已完结]同源模建初学者，特此请教！！！ (0/275) jamesxue 2013-01-16 2013-01-16 09:06:43 by jamesxue
[其他] [已完结]vmd如何远程加载分子动力学轨迹？ (9/3509) xk6891 2013-01-15 2013-01-16 04:23:46 by xuxm03
[Gromacs ] [已完结]PCA分析结果做movie (0/636) 201021150040 2013-01-15 2013-01-15 16:34:45 by 201021150040
[MS] [已完结]急寻MS5.0以上版本 (2/344) 17火耳17 2013-01-14 2013-01-15 13:07:05 by userhung
[DS/Syby ] 【求助】寻教程ds2.5 分子对接——libdock and ligandfit    ( 1 2 ) (14/2189) sungl07 2010-07-19 2013-01-15 13:04:18 by sungl07
[MS] [已完结]求助关于键长与成键的关系 (3/596) 步步高升步步 2013-01-09 2013-01-15 11:10:51 by Lzp425496024
[Gromacs ] [已完结]Decompose F 原子 (0/208) zxl102623 2013-01-15 2013-01-15 11:06:44 by zxl102623
[DS/Syby ] [已完结]sybyl-x下能用FlexX进行对接吗？ (1/404) xpyp 2013-01-14 2013-01-15 08:01:23 by qustwq
[MS] [已完结]结合能 (2/518) geniusew 2013-01-12 2013-01-14 17:05:49 by suihg
[DS/Syby ] [已完结]autodock在WIN7下运行的问题 (1/461) zzl2516 2013-01-13 2013-01-13 16:59:14 by zh1987hs
[MS] [已完结]MS如何从结果文件中分析极化率？ (0/535) wjlsj258 2013-01-13 2013-01-13 15:47:16 by wjlsj258
[LAMMPS/ ] [已完结]read_restart非周期性边界条件 (4/1437) lchunmei001 2012-12-29 2013-01-13 11:29:19 by lchunmei001
[DS/Syby ] 【求助】DS做对接 (评阅+1) (3/792) clwg 2010-10-08 2013-01-12 22:33:30 by xxy9527
[DS/Syby ] [已完结]求助DS问题 (7/818) liuxiu841027 2012-04-17 2013-01-12 22:23:58 by xxy9527
[MS] [已完结]形成能 (0/329) 水影恋镜 2013-01-12 2013-01-12 20:50:00 by 水影恋镜
[MS] [已完结]这个蛋白结构图用什么软件可以做出来 (5/3698) 陌上半月 2013-01-08 2013-01-12 18:34:44 by plantvirus
[LAMMPS/ ] windows下lammps编译 (5/1191) yangwenbin99 2012-12-28 2013-01-12 10:03:37 by zhihaikou
[DS/Syby ] [关贴]【求助】哪位能帮忙写一下DS中小分子和蛋白对接的方法啊？计算一下能量什么的？非常感    ( 1 2 ) (12/2265) kevinding 2010-06-20 2013-01-12 08:08:20 by 淘佩塔
[Monte C ] [已完结]量子MC和经典MC在模拟的时候有什么区别 (5/1114) limaohua@ 2012-03-24 2013-01-11 18:02:30 by dick7_love
[LAMMPS/ ] [已完结]轰击的模拟 (5/784) xinmaoqin 2013-01-07 2013-01-11 15:14:42 by sdzjc1988
[其他] [已完结]求大牛推荐一个分子模拟的软件 (3/595) teng2008 2012-11-01 2013-01-11 14:45:57 by 高山流缘
[MS] [已完结]使用MS的Amorphous cell计算coal的密度时出现这样的提示 (3/670) 孤独中生存 2013-01-05 2013-01-11 13:57:03 by zyj8119
[MS] [已完结][关贴]求助，新手求助XSD格式文件怎么转换成CIF，FCF或HKL格式？ (0/3332) 学员yfpXax 2013-01-11 2013-01-11 12:01:58 by 李立博
[DS/Syby ] [已完结]求助!动力学模拟过程中分子构型发现变化 (4/771) fearless_ 2013-01-10 2013-01-10 19:46:26 by fhh2626
[Gromacs ] [已完结]RMSD跑不平 (3/698) lmzxcom1 2013-01-09 2013-01-10 10:06:56 by yaozhq
[Gromacs ] [已完结]gromacs 距离限制 (1/1101) 469187892 2013-01-08 2013-01-10 09:43:01 by 469187892
[MS] [已完结]MS MD出现错误 (0/319) jijing1990 2013-01-10 2013-01-10 09:10:08 by jijing1990
[MS] [已完结]NAMD安装中的nanotubes.conf文件如何编写 (3/986) zongzhiyou 2013-01-09 2013-01-09 20:42:24 by jiaoyixiong
[MS] [已完结]关于分子筛骨架改性问题的求助。。。本人纯新手。。。 (0/235) 一起来化学 2013-01-09 2013-01-09 17:30:39 by 一起来化学
[DS/Syby ] 前辈请指教！~FlexPepDock!!! (0/434) jamesxue 2013-01-09 2013-01-09 17:19:08 by jamesxue
[DS/Syby ] [已完结]求救Rosetta dock!!!小弟银两有限，跪谢！！ (8/1411) jamesxue 2013-01-06 2013-01-09 15:15:54 by jamesxue
[Gromacs ] [已完结]gromacs安装出错求助 (4/1609) liangjun44 2013-01-04 2013-01-09 13:55:43 by liangjun44
[MS] [已完结][关贴]用AMORPHOUS CELL建一个包含氨基酸和几百个水分子溶液的体系 (0/710) ylzhao 2013-01-09 2013-01-09 13:30:44 by ylzhao
[Monte C ] 关于快中子在土壤和空气中传输的模拟 (2/506) xiaositan 2012-01-16 2013-01-09 12:00:08 by 玲珑133
[专家会诊] [已完结]MUSIC软件求助 (0/403) 王慧1021 2013-01-09 2013-01-09 11:32:38 by 王慧1021
[资源] 西班牙IMDEA-Materials研究所两个博士奖学金职位（材料专业） (评阅+5) (2/824) webchenyi 2013-01-01 2013-01-09 09:14:22 by saltfishw
[MS] 基于配体的虚拟筛选 (6/1587) wl507586 2013-01-05 2013-01-09 09:10:55 by 药物设计
[其他] [已完结]PDB2PQR1.8安装(linux)使用教程 (0/829) xufund 2013-01-08 2013-01-08 22:49:45 by xufund
[Monte C ] 【转帖】2维无外场Ising模型的Monte Carlo模拟的C++实现 (7/2907) zyj8119 2010-09-10 2013-01-08 21:15:45 by quantumage
[其他] [已完结]关于PyMOL的使用求助！ (1/1141) hanxuan8912 2013-01-05 2013-01-08 18:00:29 by longlongdlut
[Gromacs ] [已完结]gromacs 相关函数计算 autocorrelation function (2/954) mengsk 2012-12-20 2013-01-08 17:47:17 by xiaowu759
[DS/Syby ] [已完结]求DS中的felx 对接方法 (7/1144) 小xiaoo 2012-12-25 2013-01-08 16:15:19 by hellenwu74
[LAMMPS/ ] [已完结]Born-Huggins-Meyer和Born-Mayer势是一个势吗？ (3/1666) longwei1221 2013-01-08 2013-01-08 10:15:31 by ddll_slsl
[Gromacs ] [已完结]运用超计算的GMX操作问题 (5/552) 邓芳 2012-12-18 2013-01-07 22:47:12 by 邓芳
[其他] [已完结]过渡态计算求助 (1/384) 汤tao 2012-11-16 2013-01-07 22:15:20 by momo0226
[其他] [已完结]请问大家如何才能知道已知化学结构的物质是否作为药品上市了呢？或者其是否有活性 (0/497) byg1991 2013-01-07 2013-01-07 16:22:26 by byg1991
[Gromacs ] [已完结][关贴]求教NAMD安装的问题 (1/707) zongzhiyou 2013-01-07 2013-01-07 13:53:57 by fhh2626
[Gromacs ] [已完结]1000金币求Amber12（不是amber tools） (5/699) mingzezhong 2012-11-02 2013-01-07 08:08:38 by mingzezhong
[DS/Syby ] [已完结]autodock对接结果无法分析 (2/684) tianyueli 2012-09-03 2013-01-07 06:29:47 by tianyueli
[Monte C ] 【转帖】退火算法_基于蒙特卡罗迭代求解法的一种启发式随机搜索过程 (评阅+5) (2/2232) zyj8119 2010-09-16 2013-01-07 05:51:02 by salon0818
[LAMMPS/ ] [已完结][关贴]求大神给写个lammps计算示例呀 (2/978) niulitao 2013-01-05 2013-01-07 01:54:26 by niulitao
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