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最后发表
[
热点
]
疑惑?
好孩子好乖
2026-01-22
刚刚
[
DS/Syby
]
[已完结]
[关贴]
AutoDock新手问题
(3/1082)
wangyan10
2012-03-08
2012-04-02 17:25:01
by
longytu
[
其他
]
[已完结]
[关贴]
为什么算出来的能量是负值?
(3/3333)
t13340033021
2012-04-02
2012-04-02 16:18:39
by
qwerasdf2783
[
DS/Syby
]
[已完结]
autodock使用中的一些问题
(5/1695)
xjwlika
2011-06-16
2012-04-02 16:12:46
by
longytu
[
DS/Syby
]
[已完结]
autodock中ligand的问题
(
1
2
)
(金币≥1)
(15/215)
xjwlika
2011-06-17
2012-04-02 16:12:27
by
longytu
[
DS/Syby
]
[已完结]
怎样设置柔性残基?
(6/2382)
lily_llf
2011-05-19
2012-04-02 16:12:05
by
longytu
[
DS/Syby
]
[已完结]
[b]菜鸟30金币急求Autodoc4.2在winXP下的完全安装教程[/b]
(5/2429)
熔融
2011-05-18
2012-04-02 16:11:30
by
longytu
[
其他
]
[已完结]
怎样知道蛋白质的活性口袋呢?用AutoDock作分子对接时怎样选定柔性残基呢?
(2/2828)
lily_llf
2011-05-18
2012-04-02 16:11:10
by
longytu
[
DS/Syby
]
[已完结]
为什么要进行能量最小化?
(7/4572)
lily_llf
2011-05-21
2012-04-02 16:10:38
by
longytu
[
DS/Syby
]
[已完结]
AutoDock的安装?
(7/2789)
NO.24Kobe
2011-05-23
2012-04-02 16:10:01
by
longytu
[
DS/Syby
]
[已完结]
[关贴]
运行autodock出现如图很有意思的情况
(4/1447)
奕术
2012-01-22
2012-04-02 16:08:53
by
longytu
[
DS/Syby
]
[已完结]
AUTODOCK求助
(4/775)
muye1001
2011-12-15
2012-04-02 14:29:29
by
longytu
[
Gromacs
]
[已完结]
关于受体的active与inactive状态模拟
(1/317)
lovedi
2012-04-01
2012-04-02 10:30:58
by
syhu_007012
[
DS/Syby
]
[已完结]
帮忙看看审稿意见(有关氢键键能)
(7/2308)
tuwenwuguan
2012-03-30
2012-04-01 16:41:24
by
tuwenwuguan
[
Gromacs
]
[已完结]
输入小分子的不同pose跑动力学,得到不同的平衡构象,请问正常吗
(4/783)
cfmzxf84
2012-04-01
2012-04-01 16:17:31
by
ferlich
[
MS
]
[已完结]
ERROR: Expected same number of atoms in original scope and copy.
(0/211)
GTF1902
2012-04-01
2012-04-01 13:16:05
by
GTF1902
[
DS/Syby
]
[已完结]
[关贴]
chemoffice画的结构,sybyl不是别
(1/929)
cfmzxf84
2012-03-30
2012-04-01 11:04:14
by
zhenguo86
[
MS
]
[已完结]
怎样进行这个高分子聚合物的模拟?
(0/2159)
wangyiyongwz
2012-04-01
2012-04-01 10:27:34
by
wangyiyongwz
[
MS
]
[已完结]
求本书的答案
(1/237)
zyj8119
2012-04-01
2012-04-01 09:47:35
by
lixiang_0807
[
LAMMPS/
]
[已完结]
LAMMPS官网一直登录不上去,怎么办?
(2/1237)
cxz314
2012-03-31
2012-04-01 02:14:33
by
ohnesie
[
MS
]
[已完结]
SAPO-34 的晶体模型
(1/372)
yg1570
2012-03-29
2012-03-31 22:58:58
by
zyj8119
[
MS
]
[已完结]
unable to save molecular state?
(2/265)
宝珠珠宝
2012-03-31
2012-03-31 18:27:20
by
itsok
[
MS
]
[已完结]
ms使用出问题
(4/712)
江xiao鱼
2012-03-31
2012-03-31 16:17:26
by
aoteman6
[
MS
]
[已完结]
[关贴]
Discover中怎样用BTCL编程计算两组分子之间的相互作用能
(0/448)
vallen
2012-03-31
2012-03-31 15:43:55
by
vallen
[
其他
]
[已完结]
关于网络培训
(2/373)
chenxin1888
2012-03-30
2012-03-31 14:11:45
by
chenxin1888
[
DS/Syby
]
[已完结]
500金币求助MOE2010的下载链接
(4/914)
gundnir
2012-03-30
2012-03-31 12:50:07
by
gundnir
[
MS
]
[已完结]
MS 分析数据 Angle distribution, Dihedral angle
(0/956)
mengsk
2012-03-31
2012-03-31 12:43:19
by
mengsk
[
MS
]
[已完结]
关于漆酶分子结构中4个铜原子的构型,请各位高手帮帮忙啊
(0/826)
kizikulo
2012-03-31
2012-03-31 10:43:51
by
kizikulo
[
MS
]
[已完结]
关于linux下的MS5.5使用Gateway无法进行计算的求助
(4/901)
xztjhs
2012-03-26
2012-03-30 23:41:14
by
xztjhs
[
MS
]
[已完结]
请教 分子动力学模拟 氰酸酯树脂的模型
(2/361)
pyy19890619
2012-03-26
2012-03-30 18:55:24
by
itsok
[
Gromacs
]
[已完结]
amber 保存复合物时出错
(3/699)
sunmuer
2012-03-28
2012-03-30 16:50:09
by
sinokang
[
MS
]
[已完结]
[关贴]
sorption使用的方法
(1/594)
premonkey
2012-03-28
2012-03-30 15:47:23
by
premonkey
[
其他
]
[已完结]
求教 关于在线拉曼光谱分析设备建模
(1/685)
cb40
2012-03-27
2012-03-30 15:30:20
by
leonil
[
DS/Syby
]
[已完结]
MVD新手请教各位大神!
(5/1287)
lai1979
2012-03-07
2012-03-30 11:02:44
by
snow1580
[
专家会诊
]
[已完结]
激发态二氧化氮的辐射光谱
(0/311)
cc198707
2012-03-30
2012-03-30 09:54:20
by
cc198707
[
DS/Syby
]
[已完结]
求模建问题
(2/340)
郝明
2012-03-28
2012-03-30 08:46:51
by
郝明
[
专家会诊
]
[已完结]
金属配位i物,在Dmol3中问题,结构优化等问题?
(0/555)
hth1289
2012-03-29
2012-03-29 23:22:02
by
hth1289
[
MS
]
[已完结]
吸附
(0/332)
雨中树下
2012-03-29
2012-03-29 20:21:04
by
雨中树下
[
MS
]
[已完结]
铁配合物活化分子氧模型
(0/178)
snowbaby13
2012-03-29
2012-03-29 19:57:38
by
snowbaby13
[
LAMMPS/
]
[已完结]
关于lammps模拟结果可视化的问题
(0/607)
smm0528
2012-03-29
2012-03-29 17:50:20
by
smm0528
[
DS/Syby
]
[已完结]
新手求助,如何在DS中做出漂亮的分子与蛋白对接的3D图片?
(1/982)
ddcook
2012-03-22
2012-03-29 12:54:48
by
xiaolangxin
[
MS
]
[已完结]
做一个模拟的酶与抑制剂结合的三D图
(8/1088)
有机化学2005
2012-03-28
2012-03-29 12:47:20
by
blue_cat
[
Gromacs
]
[已完结]
g_angle
(0/177)
memgr
2012-03-29
2012-03-29 10:53:26
by
memgr
[
LAMMPS/
]
[已完结]
请问想要在一个in文件中读取两个data文件应该如何设置这两个文件
(0/620)
mengwuyu
2012-03-29
2012-03-29 10:22:13
by
mengwuyu
[
MS
]
[已完结]
MS中两个模型间如何复制粘贴?
(0/1125)
wesley67
2012-03-28
2012-03-28 21:47:16
by
wesley67
[
其他
]
[已完结]
求助关于相平衡的一篇文章
(0/254)
shaxijiang
2012-03-28
2012-03-28 21:12:27
by
shaxijiang
[
MS
]
[已完结]
新手求助怎么用MS实现分子振动
(0/547)
揍用力
2012-03-28
2012-03-28 20:58:29
by
揍用力
[
Gromacs
]
[已完结]
把一个pdb的蛋白质复合物 保存成prmtop 和inpcrd 文件
(3/2048)
sunmuer
2012-03-06
2012-03-28 16:54:56
by
wangyan10
[已完结]
Materials Studio中k-points值的设定
(0/1685)
50065003
2012-03-28
2012-03-28 14:41:36
by
50065003
[
MS
]
[已完结]
atom ID .............
(0/219)
zxl523
2012-03-28
2012-03-28 08:47:16
by
zxl523
[
MS
]
[已完结]
关于“溢出”的问题
(6/744)
江xiao鱼
2012-03-19
2012-03-28 08:23:28
by
973489386
[
Gromacs
]
[已完结]
amber 小分子出错
(2/325)
sunmuer
2012-03-16
2012-03-27 19:54:58
by
minbad
[
MS
]
[已完结]
模拟杂质原子对晶体物性影响
(1/288)
zzfphy
2012-03-27
2012-03-27 19:27:40
by
chaizhm
[
专家会诊
]
[已完结]
用GOLD对接动力学后的蛋白,出现如下错误,请指教,谢谢
(1/303)
cfmzxf84
2012-03-27
2012-03-27 15:53:28
by
cfmzxf84
[
Gromacs
]
[已完结]
g_sas 怎么区别亲疏水可及表面积
(0/460)
xiaoyingw
2012-03-27
2012-03-27 11:13:59
by
xiaoyingw
[
LAMMPS/
]
[已完结]
funcfl势文件的单位问题
(0/361)
rush7
2012-03-27
2012-03-27 11:01:25
by
rush7
[
Gromacs
]
[已完结]
antechamber是不认磷元素的么
(2/505)
xiaoyuanlong
2012-03-18
2012-03-27 10:08:42
by
超人与小木虫
[
Gromacs
]
[已完结]
NAMD新手求助
(0/295)
linlin9
2012-03-26
2012-03-26 15:46:35
by
linlin9
[
MS
]
[已完结]
复合中心 or 陷阱
(0/1363)
xiaoluoj
2012-03-26
2012-03-26 13:13:48
by
xiaoluoj
[
MS
]
[已完结]
想用MS来研究有机反应羟醛缩合的机理,请问哪位高手能给我提供一下类似文献?
(4/1147)
good---apple
2012-03-25
2012-03-26 11:27:21
by
ti_pn
[
MS
]
[已完结]
MS 动力学计算 步数设置
(
1
2
)
(13/2464)
江xiao鱼
2012-03-23
2012-03-26 11:09:06
by
江xiao鱼
[
其他
]
[已完结]
VMD的显示问题
(0/1178)
lmzxcom1
2012-03-26
2012-03-26 10:32:08
by
lmzxcom1
[
Gromacs
]
[已完结]
NAMD-DREIDING
(0/209)
sdwp1233
2012-03-26
2012-03-26 09:17:58
by
sdwp1233
[
MS
]
[已完结]
quasiclassical trajectory 理论做计算投稿
(1/325)
510528246
2012-03-23
2012-03-25 16:51:42
by
arthur45415
[
CPMD/CP
]
[已完结]
[关贴]
动力学模拟出错
(7/1508)
jianying8996
2011-11-18
2012-03-25 06:42:59
by
jianying8996
[
其他
]
[已完结]
求任意一篇关于Hydrogen bond cut off 是35度,3.5A的文献
(3/447)
dndxwoaini
2012-02-13
2012-03-24 20:12:32
by
q1036210267
[
其他
]
[已完结]
谁知道5-AMT(化学式C2H2N3S2)的结构式
(2/422)
青菜001
2011-10-24
2012-03-24 05:15:16
by
青菜001
[
其他
]
[已完结]
膜蛋白
(0/221)
zyx19840227
2012-03-23
2012-03-23 20:10:11
by
zyx19840227
[
DS/Syby
]
[已完结]
请教药物设计中的带负电性基团和带正电性基团的概念
(3/2524)
zhenguo86
2012-03-22
2012-03-23 15:22:10
by
leo1252
[
MS
]
[已完结]
动力学计算过程:时间步长、步数一般设置为多少?
(
1
2
)
(10/8620)
江xiao鱼
2012-03-17
2012-03-23 14:28:33
by
meilanjuhao
[
MS
]
[已完结]
关于碳纳米管仿真加电场
(2/478)
雨中树下
2012-02-26
2012-03-22 21:35:51
by
杨佳旭
[
DS/Syby
]
[已完结]
关于蛋白数据库的一点疑问
(4/1359)
蓝紫色玻璃心
2012-03-20
2012-03-22 12:00:53
by
蓝紫色玻璃心
[
Gromacs
]
[已完结]
求教怎样实现文献所说的预组装
(0/197)
tsadaye
2012-03-22
2012-03-22 10:09:26
by
tsadaye
[
MS
]
[已完结]
[关贴]
模拟液体吸附,逸度和压力怎么转换
(1/1308)
premonkey
2012-03-13
2012-03-22 09:28:29
by
premonkey
[
MS
]
[已完结]
CVFF_aug Ti原子的键参数
(0/536)
零度不结冰
2012-03-22
2012-03-22 09:14:16
by
零度不结冰
[
MS
]
[已完结]
DNA数据库
(0/817)
微笑旅途
2012-03-21
2012-03-21 12:56:22
by
微笑旅途
[
MS
]
[已完结]
空间分布函数
(0/650)
973489386
2012-03-20
2012-03-20 20:14:41
by
973489386
[
Gromacs
]
[已完结]
作用能正负的意义
(0/787)
小白如水
2012-03-20
2012-03-20 18:35:03
by
小白如水
[
Gromacs
]
[已完结]
amber 动力学 Na+ 坐标出错
(0/224)
lanlanok
2012-03-20
2012-03-20 16:45:20
by
lanlanok
[
MS
]
[已完结]
请教一个MS中Polymorph模块的相关问题
(0/382)
swollow321
2012-03-20
2012-03-20 15:15:38
by
swollow321
[
Gromacs
]
[已完结]
本科新手,NAMD 做分子模拟,学习受阻,求教~~
(3/1237)
947468266
2012-01-25
2012-03-20 14:47:30
by
linlin9
[
Gromacs
]
[已完结]
借助tcl脚本,VMD可以分析一些特别的分布函数么?
(1/698)
小白如水
2012-03-20
2012-03-20 12:48:02
by
小白如水
[
MS
]
[已完结]
30金币求linux 下的MS4.4
(0/136)
yiyayi
2012-03-19
2012-03-19 17:58:46
by
yiyayi
[
DS/Syby
]
[已完结]
DS新手做MD求请教
(0/212)
措诺有嘉
2012-03-19
2012-03-19 16:29:26
by
措诺有嘉
[
MS
]
[已完结]
求助啊! Equilibrium Morphology的使用要求是什么 对晶体模型有什么要求
(0/316)
vivi_131499
2012-03-19
2012-03-19 16:10:59
by
vivi_131499
[
LAMMPS/
]
[已完结]
关于Potentials of gas 的问题
(0/268)
mengwuyu
2012-03-19
2012-03-19 15:32:45
by
mengwuyu
[
MS
]
[已完结]
优化结构出错,没提示在哪错的,求助!
(6/1813)
shangxh
2011-11-04
2012-03-19 13:53:25
by
frank797
[
MS
]
[已完结]
用dmol模块做有机物分子结构模拟参数设置问题
(6/941)
eden
2012-03-08
2012-03-19 12:03:21
by
vv_tian78
[
其他
]
[已完结]
哪位大侠知道二硫化钨中W和S的结合键能
(0/398)
dkw06030141
2012-03-18
2012-03-18 12:59:18
by
dkw06030141
[
其他
]
[已完结]
怎么用Abbott公式计算第二维里系数?
(0/755)
xinji
2012-03-18
2012-03-18 00:53:20
by
xinji
[
MS
]
[已完结]
MS 用CASTEP计算失败,gateway的问题
(5/2085)
coyboy1
2012-02-05
2012-03-17 11:55:39
by
hwceng0816
[
LAMMPS/
]
[已完结]
请教高手: LJ势中的指数只能是6-12吗?
(4/1258)
amannnn
2012-03-16
2012-03-17 06:58:29
by
wl1777
[
DS/Syby
]
[已完结]
找discovery studio 方面的书籍
(2/752)
gwh775
2012-02-25
2012-03-16 15:18:09
by
梦缘梦缘
[
MS
]
[已完结]
跪求
(0/140)
S100161711
2012-03-16
2012-03-16 09:54:13
by
S100161711
[
Gromacs
]
[已完结]
VMD分析残基RMSD
(0/2329)
蓝紫色玻璃心
2012-03-16
2012-03-16 09:46:38
by
蓝紫色玻璃心
[
Gromacs
]
[已完结]
gromacs tabulated 报错
(0/543)
ruthxu
2012-03-15
2012-03-15 23:28:07
by
ruthxu
[
Gromacs
]
[已完结]
求助如何生成有机物Amber的输入文件,无PDB文件。
(4/1270)
903566945
2012-02-21
2012-03-15 16:26:04
by
jianying8996
[
专家会诊
]
[已完结]
分子动力学模拟non-bond参数选择问题
(0/578)
smx07131301
2012-03-15
2012-03-15 16:05:31
by
smx07131301
[
LAMMPS/
]
[已完结]
NEMD模拟中,MP型粒子交换,角动量不守恒的问题
(1/520)
lbh_xt
2012-02-23
2012-03-15 11:37:20
by
donghai
[
LAMMPS/
]
[已完结]
NEMD方法的MP模型问题
(1/291)
lbh_xt
2012-02-21
2012-03-15 11:32:16
by
donghai
[
DS/Syby
]
[已完结]
药效团,COMFA
(5/1758)
win雨
2012-03-12
2012-03-15 10:20:27
by
xuzhj01
14520
132/146
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