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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
14520
117/146
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