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[热点] 26申博 ShenNann 2026-01-23 刚刚
[Gromacs ] [已完结]Gromacs力场混合规则问题 (1/978) alang3620 2012-09-27 2012-09-28 10:22:57 by btcancancan
[MS] DMOL3过渡态计算中多反应物初始结构的设置 (5/1699) kingswordscu 2012-08-01 2012-09-28 10:08:07 by 未央于一
[LAMMPS/ ] [已完结]关于势函数 (4/789) leanna~ 2012-03-09 2012-09-28 08:38:09 by leanna~
[Gromacs ] [已完结]在水中溶解Ca Zn离子 (1/407) wildbomb 2012-09-27 2012-09-27 23:27:10 by wildbomb
[MS] [已完结]单机多核,交任务不能选择cpu (1/308) memgr 2012-09-23 2012-09-27 16:40:49 by 安德
[Gromacs ] [已完结]Gromacs动力学运行出错 (4/1117) 邓芳 2012-09-24 2012-09-27 15:32:48 by 邓芳
[LAMMPS/ ] [已完结]linux下的计算精度的设置 (5/1382) lbh_xt 2012-09-26 2012-09-27 11:51:44 by bluewhale
[MS] [已完结][关贴]求助MIL-101(Cr)的cif文件 (0/393) sjxhst 2012-09-26 2012-09-26 21:31:14 by sjxhst
[MS] [已完结]MS discover dynanic报错    ( 1 2 ) (10/2273) dq20081935 2012-05-07 2012-09-26 17:44:08 by mirror27
[Gromacs ] [已完结]Gromacs使用新参数计算能量 (2/468) xlxsioc 2012-09-26 2012-09-26 16:05:08 by xlxsioc
[MS] [已完结][关贴]分子模拟力场的选择? (0/1284) crazychild 2012-09-26 2012-09-26 10:16:22 by crazychild
[MS] ms软件做裂纹模拟扩张的效果怎么样? (3/555) kite175 2012-09-25 2012-09-26 09:25:18 by chaizhm
[MS] [已完结]Discover dyanimics 模拟醇的水溶液时的氢键能为什么总是零? (模拟EPI+1)(7/2345) pinkrose 2012-02-07 2012-09-26 03:31:27 by ChemiAndy
[其他] [已完结]加急!!求H2S氧化详细化学反应机理(动力学参数+热力学参数+分子输运参数) (0/1083) xiaoyuli1028 2012-09-25 2012-09-25 21:22:43 by xiaoyuli1028
[DS/Syby ] [已完结]最陡下降法中的能量梯度 (2/535) asd724210 2012-09-25 2012-09-25 19:09:18 by asd724210
[DS/Syby ] [已完结]怎么寻找蛋白的loop区 (6/3080) asd724210 2012-09-21 2012-09-25 16:18:23 by wangyan10
[Monte C ] 【求助】有关动力学模拟扩散系数的问题 (评阅+1) (9/3116) ldf831206 2010-12-15 2012-09-25 14:00:11 by ycy123
[MS] [已完结]多孔芳香框架(PAF)的模型构建    ( 1 2 3 ) (评阅+1) (模拟EPI+1)(22/2451) shiyiwenren 2011-04-26 2012-09-25 13:44:56 by 王慧1021
[其他] [已完结]求助模拟计算软件 (0/305) 零星 2012-09-25 2012-09-25 13:44:19 by 零星
[Gromacs ] [已完结]lps的立场文件 (0/342) 挺勇mvp 2012-09-25 2012-09-25 11:10:40 by 挺勇mvp
[其他] [已完结]关于做蛋白质分子模拟或者分子动力学的中国大牛有哪些 (2/1559) 我要便好 2012-09-24 2012-09-25 08:56:06 by pengpengzan
[MS] [已完结]MS5.0安装全部成功了,运行时总是报错,根本用不了    ( 1 2 ) (13/2102) 木子化十文武 2012-04-26 2012-09-25 08:53:33 by zhangzhikun
[DS/Syby ] [已完结][关贴]sybyl同源建模出错 (0/504) tianyueli 2012-09-24 2012-09-24 21:39:13 by tianyueli
[MS] 径向分布函数——MS6.0 (4/766) suihg 2012-08-02 2012-09-24 21:27:40 by mirror27
[专家会诊] [已完结]请问PDB Bank中的检索能不能限定蛋白的大小? (0/552) xmgign 2012-09-24 2012-09-24 21:16:35 by xmgign
[MS] [已完结][关贴]模拟NPT系综如何加上盒子 (0/303) fym11fym 2012-09-24 2012-09-24 19:43:39 by fym11fym
[Gromacs ] 【求助】力场建立中的二面角问题 (5/1441) suny2005 2009-11-05 2012-09-24 17:30:20 by alang3620
[其他] [已完结]分子动力学模拟中的系综问题 (5/2297) J_destiny___ 2012-09-22 2012-09-24 16:41:44 by leigp
[DS/Syby ] [已完结]关于用DS做虚拟筛选的问题 (4/1774) pengroc03 2012-09-21 2012-09-24 15:42:34 by pengroc03
[Gromacs ] [已完结]namd 蛋白质溢出水盒子,并且跑的盒子的另一边    ( 1 2 ) (10/2090) xingyanfei 2012-09-23 2012-09-24 14:09:59 by xingyanfei
[其他] 有人有兴趣对软物质或材料方面的分子模拟进行合作吗? (5/795) 路上 2012-04-02 2012-09-24 07:56:41 by 何处re尘埃
[MS] [已完结][关贴]Chem3D模拟的分子3D结构的问题 (0/934) 粉靛蓝 2012-09-23 2012-09-23 19:58:00 by 粉靛蓝
[MS] [已完结][关贴]求助用MS最优化分子构型 (1/1688) zhaoyancha 2012-09-19 2012-09-23 12:45:45 by 未央于一
[LAMMPS/ ] [已完结]VMD中着色命令 (0/835) 5432love 2012-09-23 2012-09-23 09:43:39 by 5432love
[Gromacs ] [已完结]下面的问题谁能解决啊? (1/443) gaussian08 2012-06-08 2012-09-23 06:57:10 by bluewhale
[DS/Syby ] [已完结]新手求助SYBYL!做QSAR时导入的pIC50.txt文件是怎么建立的? (3/1705) ousn 2012-09-20 2012-09-23 00:16:37 by zhuwufu
[DS/Syby ] 参考书 (4/533) win1happy 2012-09-22 2012-09-22 23:12:53 by win1happy
[其他] [已完结]计算分子大小 (0/477) xlcwl04037105 2012-09-22 2012-09-22 12:21:29 by xlcwl04037105
[MS] [已完结]单键旋转问题 (1/573) 紫嫣小小 2012-09-21 2012-09-22 10:09:55 by 紫嫣小小
[DS/Syby ] [已完结]Sybyl-X 准备小分子是出现如图所示错误 麻烦各位帮看一下!谢谢啦! (2/392) sunmuer 2012-09-12 2012-09-21 19:32:04 by ousn
[DS/Syby ] [已完结]用sybyl-X1.1.2做COMFA碰到了问题!紧急求助!! (1/478) smartor2908 2012-09-21 2012-09-21 19:28:11 by ousn
[Gromacs ] [已完结]何用NAMD来构建小分子、DNA分子及模拟它们之间的作用 (1/712) guoliju 2012-09-21 2012-09-21 14:23:15 by jiaoyixiong
[专家会诊] [已完结]在MS中怎样用Forcite模块得到热力学性质? (0/874) fcg200808 2012-09-21 2012-09-21 11:01:24 by fcg200808
[专家会诊] [已完结]求指教! (1/311) xiaocui1987 2012-09-21 2012-09-21 10:13:54 by chaizhm
[其他] [已完结]请教蛋白质之类的大分子模拟入门建议。。。 (6/1442) 亍寞 2012-09-20 2012-09-20 21:29:51 by 亍寞
[LAMMPS/ ] [已完结]DL_POLY4跨节点计算报错:ADIOI_Set_lock:: No locks available (0/906) lr553104284 2012-09-20 2012-09-20 20:48:11 by lr553104284
[DS/Syby ] [已完结]SYBYL使用过程中动不了了,也没有死机,程序也没有死! (1/909) ousn 2012-09-20 2012-09-20 19:53:08 by ousn
[其他] 【讨论】关于分子靶向药物的思考 (评阅+1) (9/1439) liukarl 2010-09-11 2012-09-20 19:36:24 by ousn
[其他] [已完结]U盘无法加载 (0/193) 如水.101 2012-09-20 2012-09-20 16:50:08 by 如水.101
[MS] [已完结]新人求助,要学分子模拟,求解释 (5/594) 呆头or呆脑 2012-09-19 2012-09-20 16:16:55 by 游子8921
[MS] [已完结]我在用build layers构造界面出问题 (0/380) jfwu2009 2012-09-20 2012-09-20 15:37:25 by jfwu2009
[Monte C ] 貌似最近又有新的GCMC的代码了    ( 1 2 3 4 ) (评阅+3) (30/3109) zyj8119 2011-05-09 2012-09-20 14:13:57 by xinghe99
[其他] [已完结]求田禾联系方式 (1/387) xylecust 2012-09-20 2012-09-20 14:12:09 by bzj329
[其他] [已完结]各位高人,急需帮助! 苯胺分子中基本单元-NH-Ph-的长度是大约1nm? (0/421) taoyulun 2012-09-20 2012-09-20 11:38:53 by taoyulun
[其他] [已完结]分子相似性计算软件 (0/767) yljsea 2012-09-20 2012-09-20 10:46:14 by yljsea
[DS/Syby ] [已完结]蛋白质中有杂原子怎么做对接啊 (8/1529) shuifen1108 2012-09-18 2012-09-20 09:33:57 by shuifen1108
[MS] [已完结]关于安装amber10的问题 (0/353) 尐狐 2012-09-20 2012-09-20 09:32:56 by 尐狐
[LAMMPS/ ] [已完结]求计算电荷,可付酬金! (7/903) sophia_chen 2012-09-18 2012-09-19 16:02:11 by huanghl2010
[Gromacs ] [已完结]动力学跑完后,大分子跑到盒子外面了 (2/1229) 邓芳 2012-09-19 2012-09-19 15:41:37 by 邓芳
[MS] [已完结]单机计算,已经完成的任务无法下载,求解 (0/241) sn6526 2012-09-19 2012-09-19 13:33:47 by sn6526
[其他] 【讨论】周期性边界条件什么时候用    ( 1 2 ) (11/3581) xiaojuan5886 2010-07-01 2012-09-19 07:51:00 by damihu2011
[LAMMPS/ ] [已完结]dl_poly总是在CUDA Port Warning (spme_forces)停止 (0/180) jeanie163 2012-09-19 2012-09-19 01:18:46 by jeanie163
[MS] [已完结]FeOOH建模 (1/871) 五星红旗 2012-09-18 2012-09-18 21:39:35 by 五星红旗
[DS/Syby ] 有人用DS模拟过磷脂双分子层么? (15/996) xiadan99 2012-09-16 2012-09-18 20:20:14 by jiaoyixiong
[其他] [已完结]双酚A动力学直径 (0/416) Yousuke 2012-09-18 2012-09-18 16:38:37 by Yousuke
[DS/Syby ] [已完结]配体的已知基团和蛋白质受体中的已知位点(锌离子)如何手动对接?实金求助 (0/1020) zhouzhiguang 2012-09-18 2012-09-18 13:54:02 by zhouzhiguang
[DS/Syby ] [已完结]蛋白结构优化,溶剂模型的问题 (0/315) asd724210 2012-09-18 2012-09-18 09:45:12 by asd724210
[LAMMPS/ ] [已完结]求 Zr 的Lennard–jones potential(12-6)两个参数 (8/1534) xieluxielu 2012-09-17 2012-09-18 09:02:29 by chaizhm
[LAMMPS/ ] [已完结]碳纳米管设成rigid (2/890) dry6211 2012-09-17 2012-09-18 00:17:45 by dry6211
[其他] [已完结]分子模拟到底有多深奥呀? (7/1076) 欧阳平平 2012-08-21 2012-09-17 22:26:19 by meixinqing
[DS/Syby ] [已完结]哪位大侠有关于DS分子对接的教程啊? (3/1544) yusuya 2012-09-15 2012-09-17 21:44:05 by chaizhm
[Gromacs ] [已完结]模拟蚕丝 在氯化钙作用下溶水机理模拟软件 (0/280) wanglang1987 2012-09-17 2012-09-17 15:18:15 by wanglang1987
[MS] [已完结]求Rosetta Design使用指导! (1/1147) coai517 2012-03-07 2012-09-16 16:24:24 by 游子8921
[Monte C ] [已完结]怎么确定气体如(氩气)固体的晶格常数 (5/1390) zhang_jaj 2012-09-15 2012-09-16 15:55:17 by leigp
[MS] [已完结]请教周期平板模型和层模型 (0/448) 2311248tfw 2012-09-16 2012-09-16 13:30:59 by 2311248tfw
[其他] [已完结]求高手帮忙下篇文献10金币送上,求速度!Modelling of a batch sonochemical reactor (1/236) 591216034 2012-09-15 2012-09-16 08:29:38 by wzbhit
[MS] [已完结]蛋白质模拟软件 (0/977) wanglang1987 2012-09-15 2012-09-15 16:45:54 by wanglang1987
[ME/Gulp] 【分享】体弹模量的单位MBAR与GPa是怎么划算的? (6/2982) fulin 2010-01-06 2012-09-15 11:23:44 by losenq
[DS/Syby ] [已完结]discovery studio 中的最陡下降法在哪里运行 (1/448) asd724210 2012-09-13 2012-09-15 09:12:46 by wangyan10
[专家会诊] [已完结]没有已知抑制剂的潜在靶点抑制剂筛选 (4/1310) scusmf 2012-09-12 2012-09-14 20:43:16 by jawang
[DS/Syby ] [已完结]DS中:小分子和蛋白质中的金属离子如何用QM/MM的方法进行对接,进行分子动力学模拟? (1/935) zhouzhiguang 2012-09-08 2012-09-14 20:31:32 by wangyan10
[MS] MS中怎么使用polymorph 模块 (1/964) 799505167 2012-09-13 2012-09-14 09:02:30 by jianying8996
[Gromacs ] [已完结]怎么样生成4M的Kcl溶液 (2/1386) dndxwoaini 2012-09-10 2012-09-13 20:49:17 by dndxwoaini
[Gromacs ] [已完结]modeller 模建,vmd查看,坐标变化的问题 (1/870) nufang19a 2012-09-13 2012-09-13 16:44:39 by nufang19a
[MS] [已完结]石英膜建好了以后 表面处理问题 (0/388) 挺勇mvp 2012-09-13 2012-09-13 15:27:29 by 挺勇mvp
[其他] [已完结]schrodinger2009如何设置环境变量,linux (0/624) PSA 2012-09-13 2012-09-13 12:19:07 by PSA
[LAMMPS/ ] [已完结]谁能给我解释下lammps里面neighbor list具体的意义么? (3/1972) 剑雪封侯 2012-07-18 2012-09-13 10:54:05 by 小面条璞璞
[LAMMPS/ ] [已完结]MS转化为lammps读入data文件的问题 (2/1322) 剑雪封侯 2012-09-12 2012-09-13 09:35:09 by 剑雪封侯
[MS] [已完结]购买服务器    ( 1 2 ) (19/961) geniusew 2012-09-06 2012-09-13 08:19:53 by voleyes
[LAMMPS/ ] [已完结]力的施加问题 (4/998) 5432love 2012-07-12 2012-09-13 08:03:34 by 小面条璞璞
[Gromacs ] 【求助】Amber运行中止 (2/344) 夏天的鱼 2010-07-15 2012-09-13 05:22:46 by 夏天的鱼
[其他] [已完结]mgltools安装过程中出现的一些问题,请指教 (0/1100) zzuyubin 2012-09-12 2012-09-12 18:46:55 by zzuyubin
[其他] [已完结]关于moe中dock的问题 (0/1193) jinyurui 2012-09-12 2012-09-12 18:46:46 by jinyurui
[MS] MS建模求助。。。 (1/486) clwl 2012-09-12 2012-09-12 10:28:10 by sdwp1233
[Monte C ] Monte carlo 的能量形式是采用位型能还是短程相互作用势能的形式好? (13/708) tfl03 2012-09-11 2012-09-12 10:19:12 by smswt
[Gromacs ] [已完结]g_sas 溶剂可及表面积分析 (2/1549) saabx 2012-08-04 2012-09-12 09:55:57 by zakiya
[其他] [已完结]swiss-pdbviewer里面magic fic 的问题 (0/450) asd724210 2012-09-12 2012-09-12 09:50:40 by asd724210
[Gromacs ] [已完结]求构建蛋白溶解在尿素盒子中的方法 (0/606) zakiya 2012-09-12 2012-09-12 09:40:36 by zakiya
[其他] [已完结][关贴]模拟中怎么 用平行样本 (0/218) lyw867 2012-09-12 2012-09-12 09:10:23 by lyw867
[LAMMPS/ ] [已完结]lammps能否做NVT系宗的MC模拟 (0/622) zhang_jaj 2012-09-12 2012-09-12 08:52:44 by zhang_jaj
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