版块导航
正在加载中...
客户端APP下载
登录
注册
帖子
帖子
用户
本版
24小时热门版块排行榜
>
导师招生
(543)
>
考博
(431)
>
虫友互识
(230)
>
招聘信息布告栏
(199)
>
休闲灌水
(186)
>
物理
(140)
>
文献求助
(132)
>
硕博家园
(35)
>
海外博后
(33)
>
学术会议
(28)
>
博后之家
(27)
>
教师之家
(23)
>
基金申请
(22)
>
论文投稿
(20)
>
留学生活
(12)
>
留学DIY
(10)
申请当版主
|
存档区
|
应助排行
|
模拟EPI排行
小木虫论坛-学术科研互动平台
»
计算模拟区
»
分子模拟
订阅
管理团队
(金币库
69622
充值
)
主管区长:
月只蓝
小红豆
主管版主:
abinitio
沙漠猎人
杰出贡献者
专家顾问:
pigrass
oxox6085
lsloneil
brucefan
jerkwin
荣誉版主:
wuli8
lei0736
nono2009
fegg7502
ghcacj
zzy870720z
uuv2010
御剑江湖
yjcmwgk
jiaoyixiong
cenwanglai
ben_ladeng
ljw4010
荣誉成员:
余泽成
20971
173/210
首页
上一页
171
172
173
174
175
176
下一页
全部
专家会诊
MS
LAMMPS/DL_POLY
Gromacs/Amber/NAMD
DS/Sybyl/Autodock
Monte Carlo
ME/Gulp
Hyperchem
CPMD/CP2K
资源
其他
版务
回帖排序
发表排序
刷新页面
|
交流
|
求助
|
资源
精华区
作者
最后发表
[
热点
]
售SCI一区T0P文章,我:8.O.55.1.O.5.4,科目全,可+急
pwtWF7Qmx6Jw
2026-11-03
刚刚
[
Monte C
]
[已完结]
towhee 密度的计算
(3/722)
如水.101
2011-11-15
2012-05-05 15:45:32
by
zhang_jaj
[
Monte C
]
在运行towhee的时候,运行及其缓慢,但是并未停止,请问这是什么情况?
(1/824)
xinji
2011-07-30
2012-05-05 15:05:51
by
zhang_jaj
[
Gromacs
]
[已完结]
求助amber跑酶的MD
(0/314)
游子8921
2012-05-05
2012-05-05 10:21:32
by
游子8921
[
其他
]
【求助】哪个软件比较适合模拟纳米通道中的离子输运现象
(
1
2
)
(16/3039)
snchenge8778
2010-08-22
2012-05-05 07:36:24
by
tfl20071306
[
Gromacs
]
[已完结]
如何构建木二糖分子力场
(8/1427)
wshzxcc
2012-02-13
2012-05-05 06:52:54
by
wshzxcc
[
MS
]
[已完结]
xmgrace画图
(0/460)
smart824
2012-05-04
2012-05-04 19:53:03
by
smart824
[
ME/Gulp
]
[已完结]
ME中二维边界条件该怎么设定
(2/762)
上官七七
2011-06-14
2012-05-04 19:14:05
by
木子化十文武
[
MS
]
[已完结]
怎样求分子动力学模拟所得xtd的能量!
(2/394)
wangyiyongwz
2012-05-02
2012-05-04 14:55:23
by
wangyiyongwz
[
MS
]
NPT系综高压压缩模拟盒子
(0/772)
ghy8879
2012-05-04
2012-05-04 14:42:01
by
ghy8879
[
LAMMPS/
]
[已完结]
[关贴]
DL_POLY的mxlist参数怎么设置?
(0/432)
vallen
2012-05-04
2012-05-04 11:49:40
by
vallen
[
其他
]
[已完结]
丙烷的结构参数(包括C-C和C-H键长及相关键角),麻烦注明出处
(2/4254)
abin007
2012-02-26
2012-05-04 08:10:10
by
154552485
[
Gromacs
]
[已完结]
Amber10作业正常提交,但是无".mdcrd"和".rst"结果文件生成
(4/1356)
cderic
2012-04-28
2012-05-03 23:08:35
by
cderic
[
专家会诊
]
[已完结]
复合材料的增强体和基体之间的界面
(4/1869)
yhpaid
2012-04-10
2012-05-03 21:36:09
by
yhpaid
[
MS
]
[已完结]
求大侠指教
(5/690)
水影恋镜
2012-05-02
2012-05-03 19:07:50
by
caijj09
[
MS
]
[已完结]
MS在模拟高分子构象不对!
(
1
2
)
(19/2832)
wangyiyongwz
2012-04-28
2012-05-03 10:54:52
by
Toma
[
其他
]
【求助】相关函数归一化问题
(评阅-1)
(6/1854)
astringent
2010-12-07
2012-05-02 19:38:17
by
manutdhk
[
其他
]
[已完结]
分子模拟的高手们请过来看看!
(1/917)
pan-ge
2012-05-02
2012-05-02 17:42:39
by
pan-ge
[
Gromacs
]
[已完结]
大家帮忙看这个图。。。
(0/568)
zhongyunxia
2012-05-02
2012-05-02 15:41:53
by
zhongyunxia
[
DS/Syby
]
[已完结]
[关贴]
小分子对接
(3/748)
家强
2012-04-29
2012-05-02 11:45:36
by
家强
[
MS
]
[已完结]
这个图怎么分析?急!!!
(1/329)
1026580419
2012-05-02
2012-05-02 10:09:06
by
青菜001
[
其他
]
Schrodinger.Suite.2010-ZWTiSO 药物研究完整解决方案
(8/2689)
wtscrystal
2011-04-23
2012-05-02 06:33:15
by
nothing3380
[
其他
]
[已完结]
比较两种化合物的除草活性,从哪些方面比较?
(0/345)
hcssky
2012-05-01
2012-05-01 21:06:19
by
hcssky
[
MS
]
CASTEP时Energy Change那条线始终不收敛
(2/967)
kidxiaoji
2012-05-01
2012-05-01 17:29:07
by
chaizhm
[
MS
]
[已完结]
discover模拟,分子跑到盒子外面怎么办
(5/2478)
mjjwhs
2012-04-28
2012-05-01 14:03:05
by
mjjwhs
[
MS
]
[已完结]
charge的意义 高分求解
(5/2476)
hjfdgg
2012-04-28
2012-05-01 00:22:14
by
pumpkin_sky
[
其他
]
[已完结]
如何从理论化学来分析分子的稳定性
(
1
2
)
(12/3184)
jjajxah
2012-04-29
2012-04-30 19:07:17
by
jjajxah
[
MS
]
[已完结]
【求助】ms模拟纳米级Al2O3(1-20nm)的热力学性质
(3/974)
fcg200808
2012-04-21
2012-04-30 13:58:35
by
模拟分子
[
其他
]
[已完结]
Music软件做MD时的初始结构文件如何获得
(1/516)
sdwfhtzyh
2012-04-22
2012-04-30 13:07:43
by
zyj8119
[
其他
]
[已完结]
请问什么软件可以模拟出电子云密度等,最好还能告知教程在何处
(
1
2
)
(11/4136)
残暴的肉球
2012-04-29
2012-04-30 09:04:39
by
lishijunzong
[
其他
]
一天一报价
(2/530)
yuguangyun
2012-04-28
2012-04-30 08:46:08
by
yuguangyun
[
MS
]
[已完结]
[关贴]
Morphology 模块使用求助
(0/654)
caijj09
2012-04-29
2012-04-29 22:12:50
by
caijj09
[
Monte C
]
[已完结]
Mento Carlo编程时,怎么给分子分配坐标。。。。
(0/635)
xinji
2012-04-29
2012-04-29 18:03:39
by
xinji
[
其他
]
[已完结]
Gaussian模拟
(0/781)
kltshui
2012-04-29
2012-04-29 16:35:46
by
kltshui
[
MS
]
[已完结]
求助
(2/339)
hjfdgg
2012-04-24
2012-04-29 14:40:44
by
caijj09
[
MS
]
[已完结]
建立氯化钾离子化合物
(1/967)
hjfdgg
2012-04-27
2012-04-29 14:24:30
by
caijj09
[
专家会诊
]
要做好药物分子设计需要掌握哪些知识
(4/1256)
ylp
2012-04-27
2012-04-28 23:19:34
by
sfwere
[
DS/Syby
]
[已完结]
ds在libdock时出错怎么办
(6/1226)
鸡腿套餐
2012-04-23
2012-04-28 20:59:01
by
yuguangyun
[
Gromacs
]
[已完结]
如何分析溶质在溶液中的构型分布情况
(
1
2
)
(13/2867)
liudiwen
2012-04-18
2012-04-28 17:20:25
by
q1036210267
[
DS/Syby
]
[已完结]
如何提高null cost值
(0/298)
sfw007
2012-04-28
2012-04-28 13:14:29
by
sfw007
[
MS
]
[已完结]
请问MS可以计算水溶液中的晶面能吗?
(3/1206)
lycoco
2012-04-27
2012-04-28 12:44:05
by
huixia_03
[
DS/Syby
]
[已完结]
Sybyl中Dynamic模块如何使用?与其它动力学软件有什么区别?
(0/313)
win雨
2012-04-28
2012-04-28 10:36:09
by
win雨
[
MS
]
[已完结]
MS建α-Al2O3模型
(1/636)
fcg200808
2012-04-27
2012-04-27 19:49:46
by
chaizhm
[
专家会诊
]
[已完结]
结构优化时晶胞参数设置?
(1/968)
jianying8996
2012-04-20
2012-04-27 19:10:46
by
jianying8996
[
专家会诊
]
[已完结]
如何得到有机化合物分子的体积参数?(PSA,MSA,SASA)
(2/2414)
愿得一人心
2012-04-11
2012-04-27 18:50:53
by
愿得一人心
[
Gromacs
]
[关贴]
amber怎么建立一个乙醇溶剂盒子?
(1/865)
903566945
2012-04-27
2012-04-27 17:30:19
by
liangliang88
[
LAMMPS/
]
【讨论】npt压力控制问题
(
1
2
)
(评阅+1)
(10/5452)
zqlee
2010-12-21
2012-04-27 17:26:06
by
老虎大王
[
其他
]
[已完结]
新手求助:用高斯03/09能否计算logP?
(0/505)
xiuhui
2012-04-27
2012-04-27 16:22:59
by
xiuhui
[
Gromacs
]
[已完结]
[关贴]
AMBER小分子生成出错
(1/460)
903566945
2012-04-25
2012-04-27 16:20:42
by
ferlich
[
LAMMPS/
]
[已完结]
[关贴]
关于用Lammps模拟Cu熔点的例子问题
(7/5711)
dd5818
2012-03-08
2012-04-27 16:03:44
by
abinitio
[
Gromacs
]
[已完结]
怎么确定体系的衰减时间
(2/473)
zhongyunxia
2012-04-27
2012-04-27 15:48:51
by
zhongyunxia
[
其他
]
[已完结]
溶剂挥发自组装模拟软件
(5/1669)
林樘林
2012-04-13
2012-04-27 15:06:15
by
安德
[
专家会诊
]
[已完结]
求问各位大侠,模拟计算能否算出有机溶液中多硫离子的紫外和红外吸收光谱?
(5/1302)
xiaobo1255
2012-04-18
2012-04-27 15:06:05
by
janet466158
[
LAMMPS/
]
[已完结]
lammps下rdf计算问题
(1/1927)
jomo0511
2012-04-27
2012-04-27 14:28:27
by
sdzjc1988
[
MS
]
[已完结]
哪位大侠帮我计算一下这个分子的尺寸
(1/693)
飘伶人
2012-04-27
2012-04-27 12:34:06
by
caijj09
[
MS
]
[已完结]
二氧化硅吸水模型的建立
(2/1032)
hjfdgg
2012-04-25
2012-04-27 11:02:49
by
北木
[
MS
]
[已完结]
下载了一份PDB文件,用什么软件打开?
(
1
2
)
(12/3957)
mumun
2012-04-18
2012-04-27 10:48:38
by
北木
[
MS
]
输入分子三维wy信息,用什么软件生成分子三维结构图
(3/1117)
mfkscpy
2012-04-26
2012-04-27 10:12:45
by
q1036210267
[
Gromacs
]
[已完结]
[关贴]
溶剂盒子
(0/280)
liudiwen
2012-04-27
2012-04-27 09:06:27
by
liudiwen
[
LAMMPS/
]
[已完结]
求给一个windows下的VMD安装包?
(2/3116)
sy11052
2012-04-26
2012-04-27 08:23:35
by
jiaoyixiong
[
DS/Syby
]
关于DS中的Cdocker
(9/1968)
wxwsunny87
2011-11-24
2012-04-27 06:29:36
by
wwb168
[
专家会诊
]
[已完结]
[关贴]
请问得了痒疹怎样治疗才能有效?求名医解答!
(0/319)
weiyongkai
2012-04-26
2012-04-26 23:59:43
by
weiyongkai
[
Gromacs
]
[已完结]
[关贴]
Gromacs水中的溶菌酶npt平衡出错
(3/2433)
604758762
2012-04-26
2012-04-26 21:11:19
by
andylau286
[
DS/Syby
]
[已完结]
在windows下如何将.mol2格式的分子导入database数据库中
(8/3426)
shouling
2012-03-05
2012-04-26 17:19:26
by
d_for
[
DS/Syby
]
[已完结]
怎样准备配体和受体啊?
(1/957)
kyleye
2012-04-26
2012-04-26 16:48:10
by
zh1987hs
[
DS/Syby
]
[已完结]
DS中如何分子叠加
(1/888)
kekexiliwolf
2012-04-26
2012-04-26 14:56:27
by
blue_cat
[
MS
]
[已完结]
求助103错误。。。谢谢
(3/1080)
一起来化学
2012-04-21
2012-04-26 14:04:09
by
一起来化学
[
DS/Syby
]
[已完结]
关于甲基喹啉酮乙酸类醛糖还原酶抑制的分子对接研究
(1/475)
373857802
2012-04-24
2012-04-26 11:06:31
by
373857802
[
MS
]
[已完结]
运行动力学模拟过程中H键势能一直为零?
(6/1508)
wangyiyongwz
2012-04-24
2012-04-26 10:07:48
by
wangyiyongwz
[
Gromacs
]
[已完结]
请大家看看我的磷脂膜初始结构,如何镜像一下?
(2/751)
sheva7love
2012-04-24
2012-04-26 09:13:05
by
sheva7love
[
MS
]
[已完结]
TODOCK中torsion最大值常数怎么设置
(4/937)
lid5251
2012-04-23
2012-04-25 19:41:09
by
lid5251
[
Monte C
]
[已完结]
想用蒙特卡洛模拟溶液结构 求各位大侠指点
(1/764)
ssbug
2012-04-18
2012-04-25 18:58:02
by
zhang_jaj
[
LAMMPS/
]
【求助】lammps如何测量模拟以后材料的晶格参数?
(7/2375)
bs340248
2010-05-24
2012-04-25 15:44:11
by
rush7
[
LAMMPS/
]
[已完结]
没编译成功吗?
(3/1046)
stonezhoujun
2011-12-12
2012-04-25 15:43:13
by
rush7
[
其他
]
[已完结]
[关贴]
安装CHARMM
(0/392)
liudiwen
2012-04-25
2012-04-25 11:17:41
by
liudiwen
[
DS/Syby
]
[已完结]
求Sybyl软件中的Muse软件,有这个软件的虫友帮下忙啊!!
(2/955)
jinjingnan
2012-03-21
2012-04-25 09:20:29
by
aqiao
[
LAMMPS/
]
[已完结]
石墨烯拉伸力学性质模拟
(1/948)
wuzhihua1988
2012-04-22
2012-04-25 08:43:42
by
yuanxm
[
MS
]
[已完结]
怎样对周期边界下的水溶液进行隐藏处理!
(4/902)
wangyiyongwz
2012-04-23
2012-04-24 21:05:58
by
安德
[
Gromacs
]
GROMACS 中如何输入输出的chain , segname , 等信息?
(0/353)
jiaoyixiong
2012-04-24
2012-04-24 20:55:24
by
jiaoyixiong
[
MS
]
[已完结]
小弟初用ms5.5,哪位大哥叫我下怎么用它建模,
(1/378)
yyxhfw
2012-04-24
2012-04-24 19:03:18
by
caijj09
[
MS
]
[已完结]
求助···
(3/463)
sqbin0615
2012-04-14
2012-04-24 17:22:07
by
sikasun
[
Gromacs
]
[已完结]
求Amber实现靶向分子动力学的教程
(2/1162)
yanggy169
2012-04-24
2012-04-24 11:11:44
by
377563313
[
DS/Syby
]
[已完结]
关于甲基喹啉酮乙酸类醛糖还原酶抑制的分子对接研究
(5/1422)
373857802
2012-04-08
2012-04-24 10:29:11
by
373857802
[
MS
]
[已完结]
forcite模块中的opotimize cell 选项问题?
(5/1845)
xiuhui
2012-04-22
2012-04-24 09:23:47
by
xiuhui
[
ME/Gulp
]
[已完结]
ME建立晶体模型问题
(2/538)
xiaowawa2222
2012-04-23
2012-04-24 09:14:52
by
xiaowawa2222
[
ME/Gulp
]
【求助】求助ME的建模问题
(评阅+1)
(4/998)
malei123
2010-12-08
2012-04-24 06:23:52
by
xiaowawa2222
[
MS
]
[已完结]
如何知道分子链的尺寸
(5/1240)
nisternooy
2012-03-30
2012-04-23 21:14:45
by
caijj09
[
LAMMPS/
]
[已完结]
这种边界条件应该怎么设置
(0/1103)
南风小斯
2012-04-23
2012-04-23 20:33:36
by
南风小斯
[
Gromacs
]
[关贴]
AMBER生成输入文件的问题?
(0/419)
903566945
2012-04-23
2012-04-23 19:06:34
by
903566945
[
其他
]
[关贴]
【求助】求教DPD高手怎样用amorphous cell计算Flory huggins参数
(8/3525)
judy1931
2011-03-25
2012-04-23 18:58:24
by
水月笼沙
[
专家会诊
]
[已完结]
[关贴]
有关forcite模块中analysis中的几个问题,希望高手出手相救
(4/916)
青菜001
2012-04-20
2012-04-23 17:36:12
by
青菜001
[
专家会诊
]
[已完结]
GuassVIEW 如何看二面角
(0/596)
ak47b52mp5
2012-04-23
2012-04-23 16:47:52
by
ak47b52mp5
[
MS
]
[已完结]
MS 吸附能的计算
(3/2955)
xiuhui
2012-04-21
2012-04-23 16:41:56
by
caijj09
[
专家会诊
]
[已完结]
[关贴]
Lubaehevsky Stillinger algorithm(LS算法)
(0/443)
lyw867
2012-04-23
2012-04-23 15:54:06
by
lyw867
[
DS/Syby
]
[已完结]
AutoDock对接结果中具体结合部位相互作用如何分析
(2/3025)
可米kemi
2012-04-23
2012-04-23 14:58:10
by
zh1987hs
[
MS
]
[已完结]
非晶合金的模拟
(0/371)
1026580419
2012-04-23
2012-04-23 11:32:07
by
1026580419
[
其他
]
[已完结]
布朗动力学模拟中的时间步长如何选择?
(2/627)
lpc_zard
2012-04-16
2012-04-23 11:24:36
by
chaizhm
[
MS
]
[已完结]
MS 动力学 :冻结问题
(4/910)
xiuhui
2012-04-21
2012-04-23 10:51:04
by
caijj09
[
DS/Syby
]
[已完结]
[关贴]
关于GOLD和autodock的打分函数和自由能计算
(0/1898)
cfmzxf84
2012-04-23
2012-04-23 10:33:16
by
cfmzxf84
[
DS/Syby
]
精华
I
:
【原创】convert0.2 批量转化分子格式的小程序-updating 2010-05-28
(11/5144)
javacfish
2009-12-17
2012-04-23 07:46:21
by
liuwei4410
[
MS
]
MS的传承--雁过留声
(评阅+5)
(2/664)
王小一
2012-02-26
2012-04-22 22:23:11
by
wgk1207
20971
173/210
首页
上一页
171
172
173
174
175
176
下一页
相关版块跳转
第一性原理
量子化学
计算模拟
分子模拟
仿真模拟
程序语言
查看
最后发表
发贴时间
按降序排列
按升序排列