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[
热点
]
085600,320分求调剂
大馋小子
2026-04-06
刚刚
[
MS
]
[已完结]
charge的意义 高分求解
(5/2203)
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
)
(12/2786)
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
(3/785)
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
(1/427)
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
)
(11/3720)
残暴的肉球
2012-04-29
2012-04-30 09:04:39
by
lishijunzong
[
其他
]
一天一报价
(2/465)
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
(0/580)
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。。。。
(0/586)
xinji
2012-04-29
2012-04-29 18:03:39
by
xinji
[
其他
]
[已完结]
Gaussian模拟
(0/727)
kltshui
2012-04-29
2012-04-29 16:35:46
by
kltshui
[
MS
]
[已完结]
求助
(2/244)
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
(1/888)
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
(4/1085)
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
(6/989)
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
)
(13/2486)
liudiwen
2012-04-18
2012-04-28 17:20:25
by
q1036210267
[
DS/Syby
]
[已完结]
如何提高null cost值
(0/251)
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?
(3/939)
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?
(0/251)
win雨
2012-04-28
2012-04-28 10:36:09
by
win雨
[
MS
]
[已完结]
MS建α-Al2O3模型
(1/552)
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?
(1/860)
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)
(2/2305)
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?
(1/821)
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)
(10/5094)
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?
(0/424)
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
(1/353)
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
(7/5246)
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
(2/360)
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
(5/1398)
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?
(5/1034)
xiaobo1255
2012-04-18
2012-04-27 15:06:05
by
janet466158
[
LAMMPS/
]
[已完结]
lammps下rdf计算问题
(1/1833)
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
(1/630)
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
(2/904)
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
)
(12/3395)
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
(3/946)
mfkscpy
2012-04-26
2012-04-27 10:12:45
by
q1036210267
[
Gromacs
]
[已完结]
[关贴]
溶剂盒子
(0/250)
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?
(2/3026)
sy11052
2012-04-26
2012-04-27 08:23:35
by
jiaoyixiong
[
DS/Syby
]
关于DS中的Cdocker
(9/1717)
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!
(0/261)
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
(3/2239)
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
(8/2917)
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?
(1/859)
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
(1/801)
kekexiliwolf
2012-04-26
2012-04-26 14:56:27
by
blue_cat
[
MS
]
[已完结]
求助103错误。。。谢谢
(3/896)
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
(1/380)
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?
(6/1258)
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?
(2/621)
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
(4/773)
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
(1/682)
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?
(7/1966)
bs340248
2010-05-24
2012-04-25 15:44:11
by
rush7
[
LAMMPS/
]
[已完结]
没编译成功吗?
(3/823)
stonezhoujun
2011-12-12
2012-04-25 15:43:13
by
rush7
[
其他
]
[已完结]
[关贴]
安装CHARMM
(0/338)
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!!
(2/849)
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
(1/856)
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!
(4/705)
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?
(0/295)
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,
(1/295)
yyxhfw
2012-04-24
2012-04-24 19:03:18
by
caijj09
[
MS
]
[已完结]
求助···
(3/346)
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
(2/1076)
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
(5/1189)
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?
(5/1495)
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
(2/449)
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)
(4/825)
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
(5/937)
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
(0/1049)
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?
(0/361)
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
(8/2997)
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
(4/821)
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
(0/548)
ak47b52mp5
2012-04-23
2012-04-23 16:47:52
by
ak47b52mp5
[
MS
]
[已完结]
MS 吸附能的计算
(3/2558)
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)
(0/395)
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
(2/2906)
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
(0/327)
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?
(2/542)
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
(4/712)
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
(0/1828)
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
(11/4454)
javacfish
2009-12-17
2012-04-23 07:46:21
by
liuwei4410
[
MS
]
MS的传承--雁过留声
(评阅+5)
(2/563)
王小一
2012-02-26
2012-04-22 22:23:11
by
wgk1207
[
其他
]
[已完结]
MISIC分子模拟软件
(0/426)
coyboy1
2012-04-22
2012-04-22 21:49:35
by
coyboy1
[
DS/Syby
]
[已完结]
autodock 分子力场分析
(3/1166)
muye1001
2012-02-29
2012-04-22 20:37:55
by
perfectshit
[
其他
]
goldfisher同学倾情分享读博心路历程
(1/525)
cenwanglai
2012-04-19
2012-04-22 11:28:17
by
liuyuzhen226
[
专家会诊
]
[已完结]
如何将excel表格里的产品目录转化成sdfile
(1/1007)
whitebaby
2012-04-10
2012-04-22 08:58:17
by
药物设计
[
DS/Syby
]
[已完结]
小分子物质的模拟 做对接用
(2/407)
wanzi2222
2012-04-10
2012-04-22 01:42:44
by
药物设计
[
DS/Syby
]
发文章
(2/490)
liuqingpucy
2012-04-17
2012-04-22 01:18:04
by
药物设计
[
MS
]
[已完结]
求助
(0/129)
1026580419
2012-04-21
2012-04-21 23:15:16
by
1026580419
[
其他
]
【求助】谁哪里有pymol的教程啊?
(
1
2
)
(10/1709)
nyouyou
2010-06-09
2012-04-21 17:36:27
by
阿冷冷
[
Gromacs
]
[已完结]
[关贴]
amber怎么更改计算的CPU设置?
(
1
2
)
(12/959)
903566945
2012-04-18
2012-04-21 16:17:02
by
903566945
[
Gromacs
]
[已完结]
新手学习Gromacs 大概需要多少时间
(8/2659)
卢圣国
2012-03-24
2012-04-21 11:48:47
by
mumun
[
Gromacs
]
[已完结]
双铜中心蛋白做分子动力学,如何处理Cu离子立场参数
(1/618)
floon
2012-04-20
2012-04-21 11:19:11
by
sinokang
[
MS
]
[已完结]
[关贴]
MS5.0的CCDC模块使用时出现的问题
(1/260)
北木
2012-04-21
2012-04-21 11:02:20
by
北木
[
MS
]
[已完结]
求Ln(4CH2OH-DPA)3的pdb或是cif格式的文件,谢谢
(0/284)
pyymayday
2012-04-21
2012-04-21 10:20:23
by
pyymayday
[
MS
]
[已完结]
求SAPO-34分子筛的cif文件
(2/890)
laolu113
2012-03-22
2012-04-21 08:34:20
by
laolu113
[
MS
]
[已完结]
ds做动力学优化
(6/1002)
yuguangyun
2012-04-17
2012-04-20 18:46:43
by
yuguangyun
[
MS
]
[已完结]
这个错误提示怎么回事?
(4/510)
mumun
2012-04-18
2012-04-20 16:40:27
by
mumun
[
Gromacs
]
gromacs 蛋白质自组装
(2/841)
liulinlinyan
2012-04-15
2012-04-20 16:38:59
by
liulinlinyan
[
Gromacs
]
[已完结]
gromacs模拟
(4/1328)
liuyusuc
2012-04-14
2012-04-20 16:36:16
by
liuyusuc
[
专家会诊
]
[已完结]
哪位高手能帮忙算一下以下几种物质的 介电常数!!!
(0/447)
yuhuier_2008
2012-04-20
2012-04-20 15:10:02
by
yuhuier_2008
[
其他
]
[已完结]
关于甲基氧化吗啉(NMMO)计算
(0/231)
liushimeng
2012-04-20
2012-04-20 10:01:03
by
liushimeng
[
MS
]
[已完结]
MS安装求助
(
1
2
)
(18/796)
六世之爱
2012-03-14
2012-04-20 09:09:33
by
pfabc0826
[
LAMMPS/
]
[已完结]
mpirun noticed that process rank 6 with PID 5098 on node
(0/4609)
daofman
2012-04-20
2012-04-20 00:11:17
by
daofman
[
Gromacs
]
[已完结]
[关贴]
ambertools安装问题
(1/2152)
0419xuhao
2012-04-19
2012-04-19 23:36:00
by
liyincumt
[
MS
]
MS模拟中压力和温度有大小限制吗?
(2/539)
zergstormor
2012-04-19
2012-04-19 21:03:24
by
zergstormor
20947
173/210
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