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[热点] 国自然申请面上模板最新2026版出了吗? lice_1987 2026-01-21 刚刚
[Gromacs ] [已完结]editconf 和pdb2gmx坐标转换错误 (2/944) zxy964777869 2013-02-28 2013-03-01 13:59:59 by zxy964777869
[LAMMPS/ ] [已完结]q求Lj势函数    ( 1 2 ) (12/1391) yangwenbin99 2012-12-18 2013-03-01 13:13:50 by yangwenbin99
[DS/Syby ] [已完结][关贴]TopomerComfa问题 真心求帮助 (0/430) 高興丶 2013-03-01 2013-03-01 13:05:42 by 高興丶
[MS] [已完结]各种金属的表面构建! (2/581) kaku2010 2013-01-15 2013-03-01 11:18:03 by kaku2010
[LAMMPS/ ] [已完结]石墨烯nano-patterning (1/663) muguawl 2013-02-28 2013-03-01 10:25:07 by ddll_slsl
[Gromacs ] [已完结]现有的NAMD 可以用的parameter file里面有没有环氧基团的参数?    ( 1 2 ) (10/1072) xiaosaizhao 2013-02-28 2013-03-01 09:45:09 by xiaosaizhao
[DS/Syby ] [已完结]DS中无法复制和粘贴 (0/511) 古小青 2013-02-28 2013-02-28 22:21:15 by 古小青
[MS] [已完结]在PXRD谱图指标化时提示目录名无效应该怎么办!!!! (2/230) 孙小夏 2013-02-28 2013-02-28 21:19:01 by 孙小夏
[DS/Syby ] [已完结]求QSAR指导 (0/259) 蓝洛水seven 2013-02-28 2013-02-28 17:10:08 by 蓝洛水seven
[其他] [已完结]请问哪位能帮忙计算下甲基汞的分子直径 (0/349) jiasirui 2013-02-28 2013-02-28 15:51:42 by jiasirui
[Gromacs ] [已完结]无限体系构建,化学键怎么处理 (6/599) saabx 2013-02-25 2013-02-28 15:22:08 by saabx
[DS/Syby ] [已完结]求中药单体分子与靶点蛋白的docking处理 (5/1327) doctor88 2013-01-30 2013-02-28 13:44:42 by 装水的水杯
[MS] [已完结]lammps 求解 (0/1221) mingmbm 2013-02-28 2013-02-28 11:25:06 by mingmbm
[MS] [已完结]MS UFF立场 (2/420) hplc303 2013-02-25 2013-02-28 10:06:38 by hplc303
[MS] [已完结]跪求Oxidation reactions of H2O and N2O with Si clusters文献 (0/188) Lzp425496024 2013-02-27 2013-02-27 18:56:43 by Lzp425496024
[Gromacs ] [已完结]蛋白质与不规则基底间的contact area (0/303) little_lion 2013-02-27 2013-02-27 10:31:49 by little_lion
[Gromacs ] [已完结]gmx安装fftw时出现could not find mpi library for --enable-mpi (5/5329) little_lion 2012-08-27 2013-02-27 06:47:37 by yaozhq
[专家会诊] [已完结]请问,蛋白质分子在不同温度下的构象能否模拟出来? (8/1304) kzyl 2012-06-12 2013-02-26 22:18:36 by zh1987hs
[其他] [已完结]chembiodraw的spectrum-structure assignment功能用不了,怎么办? (0/427) csuflyingfish 2013-02-26 2013-02-26 14:38:03 by csuflyingfish
[DS/Syby ] [已完结]分子对接什么时候去水,什么时候不去水?    ( 1 2 ) (15/3911) lily_llf 2011-06-13 2013-02-25 14:24:48 by joy11
[MS] [已完结]在MS中怎样画一个圆形的石墨烯片 (3/1116) 雷风雨 2013-02-22 2013-02-25 10:31:01 by xieluxielu
[专家会诊] [已完结]系综平均 (5/557) fcg200808 2013-02-22 2013-02-23 23:55:06 by fhh2626
[MS] [已完结]MS中dmol3模块计算完后,outmol文件中有没有每个原子的受力情况 (2/536) xx4751 2013-02-23 2013-02-23 21:10:22 by xx4751
[LAMMPS/ ] [已完结]求 TiAl合金的MEAM势文件 (1/595) tfl03 2013-02-23 2013-02-23 20:42:51 by tfl03
[其他] [已完结]有没有根据pdb结构计算酶的活性空腔体积的软件 (2/460) qbin1304 2013-02-20 2013-02-23 19:46:02 by zh1987hs
[MS] [已完结]用MS中dmol3模块计算,outmol文件中DERIVATIVES代表什么意思 (0/407) xx4751 2013-02-23 2013-02-23 15:06:27 by xx4751
[DS/Syby ] [已完结]在DS中建立化合物库遇到问题 (1/514) pengroc03 2013-02-22 2013-02-23 09:27:27 by pengroc03
[MS] [已完结]无机物的rietveld的精修问题 (0/293) 17火耳17 2013-02-23 2013-02-23 08:12:06 by 17火耳17
[DS/Syby ] [已完结]求帮忙转为供分子对接的mol2格式 (2/783) tanguangguo 2013-02-22 2013-02-22 22:44:37 by tanguangguo
[DS/Syby ] [已完结][关贴]关于ligandfit的一个问题 (0/415) pengroc03 2013-02-21 2013-02-21 16:34:55 by pengroc03
[资源] [已完结]HSA的PDB ID号 (2/1179) zhangjuling 2013-02-20 2013-02-21 12:12:41 by lilin_sensor
[CPMD/CP ] [已完结]cp2k用多少核并行效果好? (6/2424) jfx9902 2013-02-18 2013-02-19 21:01:03 by ddll_slsl
[LAMMPS/ ] [已完结]关于lampps中Fe的F -S 势 (2/951) 上官七七 2013-02-01 2013-02-19 07:37:59 by 上官七七
[MS] [已完结]Pd结构几何优化问题 (3/487) 17火耳17 2013-02-16 2013-02-18 22:37:05 by hakuna
[DS/Syby ] [已完结]做CoMSIA的时候一计算疏水键(hydrophobic bond)软件就重启 (1/401) YILUK 2013-01-21 2013-02-18 16:12:03 by joy11
[其他] [已完结]化学反应速率常数 (模拟EPI+1)(3/2053) 2009010884 2011-07-04 2013-02-17 16:04:55 by wangeinstein
[LAMMPS/ ] [已完结]VMD怎么看 (6/1306) 水影恋镜 2012-05-23 2013-02-17 11:18:14 by 我爱罗_沙
[LAMMPS/ ] [已完结]请教如何判断体系里的空位? (5/1072) hongyesies 2012-02-16 2013-02-17 11:15:21 by 我爱罗_沙
[MS] [已完结]请问用deepview怎样表示蛋白表面的电势? (0/305) changjiao 2013-02-16 2013-02-16 10:46:51 by changjiao
[LAMMPS/ ] [已完结]用VMD导入lammpstrj,可是不可用,显示有错 (8/2416) 自由黑黑 2013-02-06 2013-02-15 18:02:32 by 帅帅@
[LAMMPS/ ] [已完结][关贴]关于模拟离子液体力场的选择(opls-aa) (9/4650) wup123 2013-01-27 2013-02-15 10:53:51 by wup123
[LAMMPS/ ] [已完结][关贴]关于斜晶胞建模及导出用于lammps计算问题 (1/2250) 忽忽apple 2013-01-28 2013-02-15 09:04:54 by ddll_slsl
[Gromacs ] [已完结][关贴]How to open AMBER and MARDIGRAS in RedHat (3/410) peier 2013-02-09 2013-02-14 11:38:20 by welles.fong
[MS] [已完结]一些常用分子的生成热大家都是从哪里获得的? (3/569) invincibly 2011-04-25 2013-02-13 19:01:46 by yanhualu15
[DS/Syby ] [已完结]怎样通过DS重叠目的蛋白和模板蛋白,求解!!! (2/386) sootiey 2013-02-05 2013-02-08 16:20:28 by snow1580
[MS] [已完结]谁能帮我分子对接一个化合物啊,不胜感激 (7/1122) luchenshu 2013-02-04 2013-02-08 10:40:43 by 客舟听雨
[MS] [已完结]MS晶体建模 (2/526) waneli 2013-02-07 2013-02-08 01:48:08 by waneli
[MS] [已完结]自扩散系数 和 扩散距离(或自由程)之间的关系 (0/4269) cmwangdft 2013-02-07 2013-02-07 21:55:48 by cmwangdft
[其他] [已完结]高斯中计算电荷时,Mg的电荷一直是0.5左右 (0/402) liaoliao0510 2013-02-07 2013-02-07 19:26:27 by liaoliao0510
[专家会诊] [已完结]想模拟原子在电场下的运动 能垒 什么软件比较合适 (0/223) xiaoboy185 2013-02-07 2013-02-07 11:00:05 by xiaoboy185
[其他] [已完结]DPPC模拟问题 (0/260) suny2005 2013-02-06 2013-02-06 17:22:43 by suny2005
[MS] [已完结]请问MS动力学的步骤··· (4/952) seven23 2013-02-05 2013-02-06 13:12:40 by ddll_slsl
[专家会诊] [已完结]多糖的动力学模拟 (1/668) miaoqiao 2013-02-02 2013-02-05 18:10:35 by sqfn
[DS/Syby ] [已完结]DS做CDOCKER问题请教 (5/2031) yu15742837 2012-03-24 2013-02-04 10:42:06 by gg05
[Gromacs ] [已完结]关于Implicit ligand sampling的问题!求助! (0/236) rainson1988 2013-02-01 2013-02-01 20:14:14 by rainson1988
[DS/Syby ] [已完结][关贴]autogird之后不能生产—rigid.HD.map文件 求教 (0/337) dapaodiao 2013-02-01 2013-02-01 00:16:30 by dapaodiao
[MS] [已完结]采用全部顺式构象并垂直于x和y轴组成的平面,在MS中怎么实现的? (2/317) zhaopinhui08 2013-01-31 2013-01-31 22:35:08 by zhaopinhui08
[CPMD/CP ] [已完结]速度自相关函数的计算 (0/1674) z6242948 2013-01-31 2013-01-31 16:35:17 by z6242948
[专家会诊] [已完结]material studio 进行轨道计算时为什么不能显示HOMO,LUMO图? (1/3101) 609013615 2013-01-24 2013-01-30 21:51:15 by OLED哥
[Monte C ] [已完结]mc模拟蛋白和聚合物膜间的吸附初始构象 (1/399) little_lion 2012-12-27 2013-01-30 15:50:39 by 明月照清渠
[MS] [已完结]Pymol分析对接后的pdb文件 (6/4096) 962162633 2013-01-28 2013-01-30 15:36:45 by qdbh0806
[ME/Gulp] [已完结]势函数截断距离如何取?    ( 1 2 ) (11/2709) 舞昂琦VoVo 2012-05-29 2013-01-30 12:33:32 by 2235803
[LAMMPS/ ] [已完结][关贴]atomeye后处理问题 (0/356) differe 2013-01-30 2013-01-30 11:44:32 by differe
[MS] [已完结]请问做原子模拟或者分子模拟时势函数的选取 (6/1507) xuzhousnwj 2013-01-28 2013-01-30 10:42:28 by chaizhm
[专家会诊] [已完结]木材细胞结构可以建立分子模型吗? (0/383) yy5393 2013-01-29 2013-01-29 18:10:38 by yy5393
[DS/Syby ] [已完结][关贴]sybyl下如何实现命令行叠合大分子? (2/390) ValYu 2013-01-24 2013-01-29 16:10:19 by jiaoyixiong
[MS] [已完结]纯水, F-, Cl-, Br-, I-, SCN-, ClO4- 溶液的极性大小? (1/1172) mengsk 2013-01-29 2013-01-29 09:52:26 by zhoupeng87
[Gromacs ] [已完结]求用到AMBER force field的开源软件    ( 1 2 ) (10/2022) 暖水袋 2013-01-16 2013-01-29 09:16:50 by 暖水袋
[其他] [已完结]为什么一个原子可以和周围五六个原子有作用? (7/1886) 河外生命 2013-01-27 2013-01-29 02:01:19 by songyunlong
[MS] [已完结]MS4.4 安装出现关于active x不能创建对象,希望大家解我燃眉之急,定当重谢 (1/447) gx730 2013-01-25 2013-01-28 21:55:07 by zhaopinhui08
[LAMMPS/ ] [已完结]求VMD显示动态成键问题。 (0/1596) herarysara 2013-01-28 2013-01-28 17:42:18 by herarysara
[CPMD/CP ] [已完结][关贴]求cp2k中MD计算,怎样加快scf收敛? (2/2073) herarysara 2013-01-11 2013-01-28 15:27:34 by fuyuhaoy
[Gromacs ] [已完结]关于能垒讨论 (0/309) mengsk 2013-01-28 2013-01-28 09:03:28 by mengsk
[专家会诊] [已完结]BSA与小分子结合参数及热力学计算的问题 (0/783) haofangsdu 2013-01-27 2013-01-27 14:58:27 by haofangsdu
[MS] [已完结]如何在ms中添加晶胞中的元素 (7/1739) yangmomi 2013-01-26 2013-01-27 13:06:48 by 275560060
[MS] [已完结]MS中文件类型显示出现问题,求助! (0/540) wangzhikun 2013-01-27 2013-01-27 10:57:26 by wangzhikun
[MS] [已完结]求如何添加晶胞中的元素 (1/383) yangmomi 2013-01-26 2013-01-27 00:29:37 by 275560060
[CPMD/CP ] [已完结]申请下载CPMD程序时遇到问题 (3/729) jarry@zyy 2013-01-23 2013-01-26 16:36:00 by jarry@zyy
[LAMMPS/ ] [已完结]用LAMMPS模拟异种金属间的扩散 (8/1635) yongning88 2013-01-24 2013-01-26 14:55:15 by lei0736
[Gromacs ] [已完结]gmx里如何求算一坨原子对另一坨原子的作用力 (1/485) little_lion 2013-01-26 2013-01-26 14:38:33 by yaozhq
[其他] [已完结]组织蛋白酶L的空腔 (3/430) jluyxy 2013-01-23 2013-01-25 21:44:40 by jiaoyixiong
[DS/Syby ] [已完结]求sybyl的licence (2/522) 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 (4/1365) 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 (0/211) 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 (1/238) 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! (0/286) yongbinz 2013-01-24 2013-01-24 16:52:35 by yongbinz
[Hyperch ] [已完结]分子间氢键可行性 (0/583) 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! (2/1258) 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! (3/292) 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 ) (18/1653) 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 (0/519) 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 (1/558) 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 ) (11/3660) 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 (0/2839) lukewin 2013-01-23 2013-01-23 23:27:43 by lukewin
[Monte C ] [已完结]求towhee软件 (1/960) differe 2013-01-22 2013-01-22 23:08:17 by Bessel
[MS] [已完结]约化能量公式 (3/875) cg陈 2013-01-21 2013-01-22 22:24:03 by chembetsey
[MS] [已完结]discover模块中 Dipole moment correlation function analysis 老是失败? (1/339) wjlsj258 2013-01-22 2013-01-22 16:33:15 by wjlsj258
[MS] [已完结]ms中的弛豫问题 (1/2655) 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? (0/181) wjlsj258 2013-01-22 2013-01-22 15:29:02 by wjlsj258
[DS/Syby ] [已完结]protein-protein docking (1/496) ygyxyz89 2013-01-21 2013-01-22 11:07:54 by longlongdlut
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