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[
热点
]
基金委咋了?2026年的指南还没有出来?
mrkang
2026-01-22
刚刚
[
Gromacs
]
[已完结]
复合物跑md后,得到轨迹文件的后处理有哪些
(3/1046)
倩430
2012-10-16
2012-10-20 11:22:46
by
koalabear8655
[
MS
]
[已完结]
铂表面优化
(
1
2
)
(13/974)
2311248tfw
2012-10-18
2012-10-20 10:59:20
by
2311248tfw
[
MS
]
[已完结]
中国科技大学搞分子模拟的有哪些牛人?其他学校呢?
(0/1031)
zhangmy1989
2012-10-20
2012-10-20 08:51:47
by
zhangmy1989
[
LAMMPS/
]
[已完结]
lammps 怪现象
(3/945)
yiha
2012-09-10
2012-10-19 18:50:49
by
blueybz
[
Gromacs
]
[已完结]
蛋白质数据库没有大豆蛋白PDB
(2/663)
wanglang1987
2012-10-19
2012-10-19 17:53:08
by
koalabear8655
[
其他
]
[已完结]
请教大家,跨膜蛋白的同源建模,遇到了困难
(3/1325)
119904386
2011-10-10
2012-10-19 11:48:47
by
明日又天涯
[
MS
]
[已完结]
PMMA链的横截面积是多少?
(0/212)
lanton
2012-10-19
2012-10-19 11:29:49
by
lanton
[
Gromacs
]
[已完结]
pymol
(2/2928)
wanglang1987
2012-10-17
2012-10-19 11:10:45
by
wanglang1987
[
MS
]
[已完结]
Plane Radial Distribution Function 在MS软件中能分析吗?
(2/455)
clwl
2012-10-18
2012-10-19 08:41:36
by
c25968
[
MS
]
[已完结]
咨询求助
(2/235)
huyingdamon
2012-10-16
2012-10-19 08:24:52
by
luxujie3
[
MS
]
[已完结]
吸附后晶胞结构为什么变化了,什么地方出了问题
(4/716)
chi11366
2012-10-17
2012-10-18 22:08:23
by
o58285880
[
Monte C
]
[已完结]
做Monte carlo模拟用什么软件好?
(5/1681)
voleyes
2012-09-25
2012-10-18 16:46:40
by
luxujie3
[
MS
]
[已完结]
[关贴]
如何选择某一种原子
(3/655)
longwei1221
2012-10-16
2012-10-18 16:43:59
by
luxujie3
[
MS
]
[已完结]
如何改变MS中分子模型的二面角
(3/1598)
mengsk
2012-10-17
2012-10-18 16:20:55
by
luxujie3
[
MS
]
[已完结]
咋分析计算出来的结果啊???
(0/185)
wen.bo.0101
2012-10-18
2012-10-18 14:31:42
by
wen.bo.0101
[
Gromacs
]
[已完结]
gromacs中genion报错
(5/861)
yjr
2011-11-20
2012-10-18 14:30:38
by
jiaoyixiong
[
Gromacs
]
[已完结]
真心求助
(4/441)
huyingdamon
2012-10-16
2012-10-18 11:52:52
by
huyingdamon
[
LAMMPS/
]
[已完结]
求帮助
(0/227)
水影恋镜
2012-10-18
2012-10-18 11:05:07
by
水影恋镜
[
资源
]
[已完结]
求sybyl关于构象搜索的中文教程
(0/1736)
邓芳
2012-10-18
2012-10-18 10:25:53
by
邓芳
[
MS
]
[已完结]
ms 跨节点并行出现问题
(0/646)
h1h2x3
2012-10-18
2012-10-18 09:27:36
by
h1h2x3
[
MS
]
[已完结]
铂表面吸附
(5/563)
2311248tfw
2012-10-17
2012-10-17 23:38:38
by
2311248tfw
[
MS
]
[已完结]
在MS软件中如何通过分子式模拟其3D构型
(4/1487)
alysa7
2012-10-15
2012-10-17 21:27:52
by
luxujie3
[
Monte C
]
[已完结]
DLA模型,Fortran 代码,出现问题
(4/1078)
wup123
2012-08-23
2012-10-17 20:39:04
by
wup123
[
MS
]
[已完结]
求无机非金属-熔融物粘度-结晶有关方面的大神,真心求助几个问题
(0/181)
sd-wmg
2012-10-17
2012-10-17 19:40:53
by
sd-wmg
[
Gromacs
]
[已完结]
用mac版或Linux版VMD导出的图片在Windows电脑中无法观看
(1/1976)
jackyma
2012-10-17
2012-10-17 16:30:16
by
jiaoyixiong
[
MS
]
[已完结]
VMD中rotate与从neter模式共存
(2/486)
牧雪长空
2012-10-16
2012-10-17 14:35:47
by
牧雪长空
[
MS
]
[已完结]
[关贴]
MS LAMMPS data
(1/736)
1612
2012-10-15
2012-10-17 00:53:30
by
1612
[
专家会诊
]
[已完结]
vmd 氢键显示
(5/5695)
yiha
2012-10-15
2012-10-16 20:02:44
by
yiha
[
MS
]
[已完结]
Materials Studio中的旋转过渡态蒙特卡洛方法
(1/1836)
ghy8879
2012-03-23
2012-10-16 13:40:41
by
358461026
[
MS
]
[已完结]
麻烦分析一下原因哈
(1/267)
2311248tfw
2012-10-16
2012-10-16 13:11:15
by
2311248tfw
[
其他
]
[已完结]
关于IRC问题的请教!!出现这样的错误是怎么回事???
(0/383)
xujiajia
2012-10-16
2012-10-16 11:45:34
by
xujiajia
[
MS
]
[已完结]
复合材料老化性能的分析可以用分子模拟做吗?
(0/190)
qinhao0219
2012-10-16
2012-10-16 10:24:40
by
qinhao0219
[
LAMMPS/
]
[已完结]
高电荷态离子轰击石墨
(2/763)
nwx_ky
2012-10-15
2012-10-16 09:09:22
by
nwx_ky
[
专家会诊
]
[已完结]
将蛋白质和碳纳米管的pdb和psf文件合并为一后,怎么控制它们之间的距离呢?
(3/1090)
wshzxcc
2012-03-22
2012-10-15 20:33:57
by
jiaoyixiong
[
MS
]
[已完结]
请问ms能不能做分子传热方面的内容
(2/261)
princehudson
2012-10-14
2012-10-15 19:08:48
by
princehudson
[
Gromacs
]
[已完结]
gromacs计算机配置问题
(0/2090)
wanglang1987
2012-10-15
2012-10-15 15:38:24
by
wanglang1987
[
MS
]
[已完结]
急求大侠给意见
(2/329)
yizhiwen
2012-10-13
2012-10-14 14:23:52
by
yizhiwen
[
MS
]
[已完结]
求助高人指点取代掺杂与切面
(1/668)
2311248tfw
2012-10-14
2012-10-14 10:55:36
by
o58285880
[
其他
]
[已完结]
哪位高人推荐一个可以计算DOS、PDOS的软件,以前用GaussSum感觉很麻烦~
(1/579)
gwlsw890118
2012-10-13
2012-10-13 17:21:55
by
lihb734
[
MS
]
[已完结]
discover最小化出现错误
(3/628)
mirror27
2012-10-10
2012-10-12 21:01:32
by
mirror27
[
专家会诊
]
[已完结]
计算复合材料热导率采用什么方法比较好?分子模拟可以吗?用哪种程序软件?
(0/419)
wxz1983
2012-10-12
2012-10-12 14:41:08
by
wxz1983
[
LAMMPS/
]
[已完结]
lammps计算cna/atom
(3/1094)
zhang_jaj
2012-10-11
2012-10-12 09:56:10
by
bluewhale
[
资源
]
[已完结]
求understanding molecular simulation中子程序的源代码
(0/344)
mpsheng
2012-10-11
2012-10-11 21:28:12
by
mpsheng
[
MS
]
[已完结]
请问MS中石墨的模型在哪里找到的,为啥我找不到呢
(6/2126)
chi11366
2012-10-05
2012-10-11 18:03:16
by
chi11366
[
Gromacs
]
[已完结]
虚拟机安装出错的原因
(0/240)
tianyueli
2012-10-11
2012-10-11 16:32:10
by
tianyueli
[
资源
]
[已完结]
球在水中的流动分布,用哪种软件好?
(0/247)
chenxingwei
2012-10-11
2012-10-11 16:29:22
by
chenxingwei
[
Monte C
]
[已完结]
[关贴]
RMC(逆向蒙特卡罗模拟)
(0/1543)
rjrj1107
2012-10-11
2012-10-11 16:16:25
by
rjrj1107
[
MS
]
[已完结]
服务器的配置问题
(1/533)
xinyu_2007
2012-10-11
2012-10-11 13:48:41
by
棉签
[
DS/Syby
]
[已完结]
DS无法导入charmmMMPBSA?
(0/286)
zhouzhiguang
2012-10-11
2012-10-11 12:25:08
by
zhouzhiguang
[
Gromacs
]
[已完结]
[关贴]
高斯生成.log文件出错,生成nohup.out文件
(1/641)
倩430
2012-10-10
2012-10-11 11:27:51
by
倩430
[
DS/Syby
]
[已完结]
怎么用pymol分析autodock结果中的疏水和氢键作用呢
(2/7684)
lid5251
2012-06-04
2012-10-11 08:00:51
by
zh1987hs
[
MS
]
[已完结]
AC模组运行discover出现错误,求助!
(0/223)
xukm
2012-10-10
2012-10-10 14:12:28
by
xukm
[
MS
]
[已完结]
反应路径的选择
(2/1294)
a94259425
2012-10-09
2012-10-10 11:18:58
by
nianjingyan
[
MS
]
[已完结]
请问64位的机子为什么装不起MS4.3呢
(6/643)
lyyzhangcong
2012-03-28
2012-10-10 06:45:57
by
liuqiang2270
[
DS/Syby
]
[已完结]
Autodock 蛋白质与药物对接时的问题
(2/823)
晓晓瑶
2012-09-25
2012-10-09 21:52:54
by
lujunyan1118
[
DS/Syby
]
[已完结]
QM/MM优化后的模型跑MD,可行性如何?
(1/349)
zhouzhiguang
2012-09-28
2012-10-09 21:49:07
by
lujunyan1118
[
Gromacs
]
[已完结]
amber跑蛋白复合物动力学前,小分子用高斯如何处理
(7/1885)
倩430
2012-10-08
2012-10-09 21:39:32
by
wangyan10
[
ME/Gulp
]
[已完结]
[关贴]
关于ME中势函数来源问题
(0/497)
zx2456
2012-10-09
2012-10-09 19:01:46
by
zx2456
[
DS/Syby
]
[已完结]
蛋白结构可靠性分析的问题
(2/472)
asd724210
2012-10-09
2012-10-09 17:38:48
by
yalefield
[
其他
]
[已完结]
什么是振动失相呀
(0/1863)
shijipei
2012-10-09
2012-10-09 15:50:08
by
shijipei
[
DS/Syby
]
[已完结]
求PiplinePilot的安装方法,使用方法
(2/547)
yusuya
2012-09-19
2012-10-09 12:38:14
by
激励吉利
[
LAMMPS/
]
[已完结]
单晶铜势函数
(0/578)
默涵
2012-10-08
2012-10-08 20:49:18
by
默涵
[
MS
]
[已完结]
Gaussian03 进行结构优化 ,为什么产生不了cosmo文件 不知道错在哪里
(0/749)
duxn
2012-10-08
2012-10-08 16:07:59
by
duxn
[
MS
]
[已完结]
Dmol3 求教
(0/433)
2007280038037
2012-10-08
2012-10-08 09:56:12
by
2007280038037
[
MS
]
[已完结]
MS可以计算分子振动能量吗
(0/688)
longwei1221
2012-10-08
2012-10-08 09:04:14
by
longwei1221
[
LAMMPS/
]
[已完结]
如何用fix deform实现流动问题?
(3/1250)
dry6211
2012-10-07
2012-10-07 21:37:59
by
jiaoyixiong
[
Gromacs
]
[已完结]
求助,如何解决gromacs跨节点并行CPU使用率小于5%?
(1/1467)
04nylxb
2012-10-07
2012-10-07 17:37:54
by
04nylxb
[
MS
]
[已完结]
【新人求助】构建一PVAc分子链,用discover进行minimize,怎么也不收敛
(8/995)
xukm
2012-10-03
2012-10-07 14:20:17
by
xukm
[
Gromacs
]
[已完结]
不用周期性边界条件,文件怎么设置???
(1/956)
zhongyunxia
2012-09-02
2012-10-06 19:03:30
by
心出发
[
Gromacs
]
[已完结]
用NAMD模拟聚合物与微生物膜相互中用
(1/586)
laomian006
2012-09-23
2012-10-06 18:58:39
by
心出发
[
MS
]
[已完结]
请问如何在QSAR中估算聚合物的溶解度常数!!!~~~
(4/588)
sdjisuan
2012-08-30
2012-10-06 17:21:03
by
sdjisuan
[
DS/Syby
]
[已完结]
有关Autodock结果分析中结合自由能的问题
(6/2024)
keke1987
2012-09-29
2012-10-06 13:43:57
by
zh1987hs
[
Gromacs
]
[已完结]
审稿人让增加模拟时间到30ns,不想增加了,怎么回复他?
(6/1191)
voleyes
2012-09-12
2012-10-06 13:19:01
by
心出发
[
Gromacs
]
[已完结]
这个是不是gromacs安装成功了?
(1/398)
wanglang1987
2012-10-06
2012-10-06 13:01:39
by
心出发
[
LAMMPS/
]
[已完结]
请谁能解释一下Lammps里removing a "bias" from the atom velocities.
(3/971)
Bessel
2012-10-03
2012-10-03 22:46:51
by
sdzjc1988
[
LAMMPS/
]
[已完结]
跪求DL-POLY运行forrtl: severe (64): input conversion error,
(1/1731)
sunyl1989
2012-10-02
2012-10-03 10:53:54
by
sunyl1989
[
ME/Gulp
]
[已完结]
eigenvectors 怎么输出特征向量???
(0/596)
ken2000e
2012-10-01
2012-10-01 23:07:01
by
ken2000e
[
MS
]
[已完结]
求指导
(0/184)
水影恋镜
2012-09-29
2012-09-29 15:50:05
by
水影恋镜
[
MS
]
[已完结]
VMD如何利用.xyz文件计算g(r)?
(1/2627)
zhangsdtz
2012-09-28
2012-09-28 22:15:29
by
jiaoyixiong
[
DS/Syby
]
[已完结]
高斯文件在SYBYL中的显示
(1/489)
苏拉醒了
2012-09-28
2012-09-28 20:23:44
by
苏拉醒了
[
LAMMPS/
]
[已完结]
[关贴]
聚合物拉伸
(0/1302)
xdr
2012-09-28
2012-09-28 19:43:35
by
xdr
[
LAMMPS/
]
[已完结]
斜边行结构怎么设置边界条件
(1/948)
J_destiny___
2012-09-28
2012-09-28 16:44:11
by
J_destiny___
[
其他
]
[已完结]
求助!单个气体分子的体积是哪里查啊~~!!!!
(1/1199)
小娜不在
2012-09-28
2012-09-28 16:04:31
by
小娜不在
[
MS
]
[已完结]
求MS5.5软件,非常感谢
(9/964)
mimizong
2012-04-07
2012-09-28 14:14:41
by
毛毛虫315
[
资源
]
[已完结]
[关贴]
求shcrodinger2009的相关学习资料,非常感谢!
(0/240)
PSA
2012-09-28
2012-09-28 10:46:00
by
PSA
[
Gromacs
]
[已完结]
Gromacs力场混合规则问题
(1/975)
alang3620
2012-09-27
2012-09-28 10:22:57
by
btcancancan
[
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
(1/404)
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
(1/307)
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
(4/1108)
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
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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
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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
(2/464)
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?
(0/1283)
crazychild
2012-09-26
2012-09-26 10:16:22
by
crazychild
[
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)
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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
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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
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asd724210
2012-09-21
2012-09-25 16:18:23
by
wangyan10
[
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)
(22/2443)
shiyiwenren
2011-04-26
2012-09-25 13:44:56
by
王慧1021
14520
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