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[
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2024 - Chemistry and Pharmacology of Drug Discovery
asymmsyn
2026-01-22
刚刚
[
专家会诊
]
[已完结]
同源建模时怎样计算一致性和相似性
(4/1293)
patent
2012-11-22
2012-11-23 08:19:32
by
zh1987hs
[
专家会诊
]
[已完结]
pymol中的操作问题
(3/1572)
静谷睿水
2012-11-22
2012-11-22 21:28:13
by
pkuchemistry
[
Gromacs
]
[已完结]
xp下装red cup的linux,是选择双系统还是虚拟机
(5/1060)
zhouzhiguang
2012-11-05
2012-11-22 17:37:08
by
arthurii
[
MS
]
[已完结]
如何用动力学模拟做出键长随时间变化图
(7/1310)
学员ZyYqLa
2012-10-27
2012-11-22 12:54:03
by
xujc1983
[
MS
]
[已完结]
求高人指点
(0/175)
张美玲加油哦
2012-11-22
2012-11-22 11:38:57
by
张美玲加油哦
[
Gromacs
]
[已完结]
关于离子液体的阳离子的力场参数请教
(0/779)
cfmzxf84
2012-11-22
2012-11-22 10:29:35
by
cfmzxf84
[
MS
]
[已完结]
[关贴]
求论文题目及论文。。
(0/213)
zxl523
2012-11-22
2012-11-22 09:50:58
by
zxl523
[
MS
]
[已完结]
[关贴]
求论文题目及论文。。
(0/337)
zxl523
2012-11-21
2012-11-21 15:23:18
by
zxl523
[
Gromacs
]
[已完结]
mdcrd文件出现问题
(1/598)
suiyitx
2012-11-20
2012-11-21 15:19:36
by
yaozhq
[
专家会诊
]
[已完结]
如何使用DMol3组件计算溶剂化焓
(0/989)
freetian
2012-11-21
2012-11-21 10:39:34
by
freetian
[
MS
]
[已完结]
请问各位大神ms如何模拟水在高压下进入疏水管道
(0/338)
yumuchunnuaa
2012-11-20
2012-11-20 22:37:52
by
yumuchunnuaa
[
MS
]
[已完结]
sorption模块算吸附等温线的时候怎么确定平衡步数是多少呢?
(0/610)
chi11366
2012-11-20
2012-11-20 22:11:51
by
chi11366
[
其他
]
[已完结]
请问这样的图是用什么软件做的?
(2/475)
shabeir
2012-11-20
2012-11-20 22:07:36
by
shabeir
[
其他
]
[已完结]
fortran中Idint函数是什么意思?
(4/5918)
cumt蝈蝈
2012-11-17
2012-11-20 18:30:16
by
cumt蝈蝈
[
MS
]
[已完结]
MS中的MM+力场
(0/509)
wgz_tju
2012-11-20
2012-11-20 16:45:37
by
wgz_tju
[
其他
]
[已完结]
logistic函数拟合,如何计算相关系数CC,均方跟误差RMSE,离散率OR?
(1/1440)
iampirate
2012-11-18
2012-11-20 16:18:00
by
iampirate
[
Gromacs
]
[已完结]
请教VMD中measure hbonds
(3/1258)
zhongyunxia
2012-11-19
2012-11-20 16:14:56
by
wally8962
[
MS
]
[已完结]
请教分子式符号
(1/500)
wgz_tju
2012-11-20
2012-11-20 11:02:28
by
yalefield
[
MS
]
[已完结]
怎么把MS里会动的分子模型保存到桌面
(2/396)
zhl1987091
2012-11-20
2012-11-20 10:08:00
by
zhl1987091
[
MS
]
[已完结]
怎么计算石墨的声子谱?
(1/353)
truewz
2012-11-19
2012-11-20 10:01:08
by
tsh8167
[
MS
]
[已完结]
MS可以测量长度吗?
(7/1239)
chi11366
2012-11-18
2012-11-20 09:45:15
by
chi11366
[
MS
]
[已完结]
Morphology预测形貌出现warning,求解决
(1/443)
scdxchenfang
2012-11-14
2012-11-19 20:52:26
by
scdxchenfang
[
专家会诊
]
[已完结]
求助:计算聚合物动态力学性能所用软件
(0/291)
芙兰朵露
2012-11-19
2012-11-19 16:28:13
by
芙兰朵露
[
MS
]
[已完结]
怎么验证晶体结构及求其晶胞参数
(1/985)
zhongyunxia
2012-11-16
2012-11-19 10:11:45
by
GTF1902
[
LAMMPS/
]
[已完结]
[关贴]
求lammps 计算neb的in文件 和data文件例子,最好有点说明!
(1/1051)
herarysara
2012-11-17
2012-11-19 10:11:38
by
herarysara
[
专家会诊
]
[已完结]
Gold结果分析(求助)
(2/529)
striving
2012-11-16
2012-11-19 09:37:36
by
striving
[
其他
]
模拟的人有福了:英国悬赏1000英镑求解“为何热水比冷水冻结快”
(
1
2
)
(18/2359)
coolrainbow
2012-07-04
2012-11-19 05:24:37
by
lisuperyao
[
其他
]
我们课题组招聘,MD 模拟方面——最好精于NAMD gromacs 做生物分子模拟
(
1
2
)
(55/3418)
jiaoyixiong
2012-05-16
2012-11-18 20:52:17
by
mingmbm
[
MS
]
CASTEP和VASP分别计算形成焓的对比
(0/1553)
djz0924
2012-11-18
2012-11-18 19:03:15
by
djz0924
[
MS
]
[已完结]
电场作用下的吸附
(1/576)
雨中树下
2012-04-10
2012-11-18 16:36:59
by
zxn761
[
MS
]
[已完结]
如何判断势能面的类型
(3/842)
510528246
2012-11-12
2012-11-17 22:04:55
by
lyq0120
[
DS/Syby
]
[已完结]
DS 跑着跑着到了15个小时,cpu利用率变为1%-5%。怎么回事?
(4/649)
zhouzhiguang
2012-11-08
2012-11-17 12:31:39
by
yaozhq
[
其他
]
[已完结]
【谢谢】乙炔在273k和295k的分子横截面积是多少?谢谢啦
(0/222)
kai861218
2012-11-16
2012-11-16 15:49:47
by
kai861218
[
专家会诊
]
[已完结]
有个概率公式,有积分。用啥软件可以实现呢?
(7/2355)
nesimon
2012-07-13
2012-11-16 13:18:46
by
yaozhq
[
DS/Syby
]
[已完结]
ds做对接后怎么把配体和蛋白一起导出作为一个复合物结构
(3/2413)
xuenihao
2012-07-04
2012-11-16 12:48:15
by
相约南药
[
MS
]
[已完结]
高手请进:DMol3计算时,Binding Energy的选取?
(1/1341)
joyce83
2012-02-11
2012-11-16 11:41:45
by
jianying8996
[
专家会诊
]
[已完结]
请问,量子计算中,VSE;ASE;VDE;ADE这四个概念有什么区别,计算公式分别是什么啊,
(0/992)
梦影无痕
2012-11-16
2012-11-16 10:24:46
by
梦影无痕
[
专家会诊
]
[已完结]
敢问国内 做势和用势 比较成功的是那些课题组?
(
1
2
)
(10/864)
ym23
2012-11-02
2012-11-16 10:14:11
by
ym23
[
LAMMPS/
]
lammps运行错误
(18/2595)
badercao
2012-11-01
2012-11-16 08:21:14
by
yuanxm
[
专家会诊
]
[已完结]
pdb
(1/309)
atonement
2012-11-15
2012-11-16 08:20:45
by
luxujie3
[
专家会诊
]
[已完结]
新手求助有关RMSD,RMSF等计算
(
1
2
)
(12/2894)
lmzxcom1
2012-08-17
2012-11-16 08:18:21
by
相约南药
[
资源
]
[已完结]
[关贴]
求文章
(评阅-1)
(0/177)
xwf529
2012-11-15
2012-11-15 20:38:36
by
xwf529
[
DS/Syby
]
[已完结]
新手autodock中autogrid出现问题
(8/3120)
kevinly123
2012-11-13
2012-11-15 17:38:48
by
longdlut
[
MS
]
[已完结]
如何统计氢键的个数
(0/2119)
shaxijiang
2012-11-15
2012-11-15 11:07:25
by
shaxijiang
[
MS
]
[已完结]
[关贴]
MgO/SiO2氧化物催化剂怎么建模啊?有人做过么
(2/395)
ch745236751
2012-11-13
2012-11-15 10:56:39
by
王小一
[
Gromacs
]
[已完结]
pdb2gmx出错
(5/956)
piaoluodeyu
2012-11-14
2012-11-15 10:48:24
by
yaozhq
[
LAMMPS/
]
[已完结]
求lammps立场设定与立场参数答疑!
(4/1503)
herarysara
2012-11-13
2012-11-14 20:05:07
by
herarysara
[
DS/Syby
]
反向分子对接出现的问题
(9/2017)
wohaihao
2012-07-19
2012-11-14 19:13:45
by
xufund
[
DS/Syby
]
[已完结]
RUN AUTOGRID时报错ERROR2
(6/1756)
totoro1992
2012-11-09
2012-11-14 18:55:38
by
longdlut
[
MS
]
[已完结]
困惑!求高手解答!格式后缀.xsd的文件中画的结构显示不出来
(6/1293)
庐陵悍马
2012-11-09
2012-11-14 15:47:44
by
庐陵悍马
[
Gromacs
]
[已完结]
求源程序
(0/192)
lisuhong
2012-11-14
2012-11-14 13:02:42
by
lisuhong
[
其他
]
[已完结]
询问北京大学凝聚态物理专业2011年毕业博士 覃睿 的联系方式
(1/713)
microweiliu
2012-08-22
2012-11-14 07:11:46
by
徐谊
[
DS/Syby
]
[已完结]
autodock设置ligand时报错
(0/662)
totoro1992
2012-11-13
2012-11-13 21:34:17
by
totoro1992
[
Gromacs
]
[已完结]
gromacs 立场问题
(0/471)
abigrabbit
2012-11-13
2012-11-13 19:55:55
by
abigrabbit
[
CPMD/CP
]
[已完结]
用高斯做BOMD经典轨迹模拟解离时,如何定义解离路径和终止条件??
(1/991)
luosizuo
2012-11-13
2012-11-13 15:44:22
by
y130701
[
MS
]
[已完结]
orientation distribution function怎么分析?
(8/1056)
江xiao鱼
2012-10-30
2012-11-13 14:33:07
by
ter20
[
其他
]
[已完结]
请问谁那有InsightII 生物分子模拟软件
(2/529)
yyp_123
2012-11-12
2012-11-13 14:03:16
by
yyp_123
[
Gromacs
]
[已完结]
Charmm停电中断后能否继续计算?
(0/440)
shengxiang
2012-11-13
2012-11-13 08:58:35
by
shengxiang
[
LAMMPS/
]
问题已解决,谢谢关注
(8/527)
忽忽apple
2012-11-13
2012-11-13 08:54:00
by
heibi
[
ME/Gulp
]
breathing shell model
(模拟EPI+1)
(10/1699)
pengyong2010
2011-05-30
2012-11-13 07:36:47
by
meiqingqing
[
资源
]
[已完结]
求dssp程序
(1/456)
wz2010
2012-11-02
2012-11-12 22:03:11
by
softmatter
[
专家会诊
]
[已完结]
[关贴]
求静态结构因子的计算程序(最好是fortran)
(3/1463)
lyw867
2012-10-18
2012-11-12 18:44:38
by
zx2456
[
LAMMPS/
]
[已完结]
[关贴]
Lammps 模拟出现问题
(6/1508)
zhao0916
2012-10-26
2012-11-12 13:17:54
by
thucs
[
专家会诊
]
[已完结]
CASTEP MD方法
(0/241)
xxjiang
2012-11-12
2012-11-12 11:17:19
by
xxjiang
[
其他
]
[已完结]
有好心人帮忙计算下两个化合物的电子云密度
(1/746)
panxuan00
2012-10-31
2012-11-12 09:30:48
by
panxuan00
[
MS
]
[已完结]
DPD施加剪切
(0/428)
tsadaye
2012-11-11
2012-11-11 10:22:27
by
tsadaye
[
MS
]
[已完结]
xtd文件跑动力学用的是哪一帧呢?
(4/684)
hunanxuyang
2012-04-05
2012-11-11 05:50:56
by
hunanxuyang
[
DS/Syby
]
[已完结]
关于G-H方法验证药效团的有效性的问题
(1/759)
crispsoft
2012-10-13
2012-11-10 16:49:49
by
isus8826
[
Monte C
]
[已完结]
分子移动
(0/347)
如水.101
2012-11-10
2012-11-10 14:41:51
by
如水.101
[
DS/Syby
]
[已完结]
Pymol结果分析请教
(3/1453)
yiqin
2012-11-08
2012-11-10 12:50:38
by
苹果变菠萝
[
DS/Syby
]
[已完结]
ADT中write pdb时选中sort nodes作用是什么?
(0/417)
Hustress
2012-11-09
2012-11-09 17:59:12
by
Hustress
[
Gromacs
]
[已完结]
amber中的alanine scanning计算结果中的Delta delta G
(0/224)
muniu
2012-11-09
2012-11-09 14:35:00
by
muniu
[
LAMMPS/
]
[已完结]
求助lsf集群上提交lammps任务的脚本
(1/2412)
wanglianli136
2012-11-09
2012-11-09 12:17:27
by
苍穹1989
[
其他
]
[已完结]
蛋白PDB数据中间的10个残基没有数据,有什么软件能加上吗?
(7/989)
caozx
2012-11-07
2012-11-09 10:06:56
by
caozx
[
MS
]
[已完结]
ms建模,lammps计算,中间的转换问题求助,拜托了~
(0/363)
qshi
2012-11-09
2012-11-09 09:44:16
by
qshi
[
LAMMPS/
]
[已完结]
[关贴]
DL_POLY对体系进行 “优化+MD” 的批处理过程
(0/205)
voleyes
2012-11-09
2012-11-09 09:30:55
by
voleyes
[
Gromacs
]
[已完结]
用NAMD软件做SMD时一些问题
(2/750)
lpz610
2012-10-08
2012-11-09 09:02:40
by
lpz610
[
MS
]
[已完结]
[关贴]
MS建模求助
(9/763)
lucaca
2012-11-07
2012-11-09 08:57:49
by
chaizhm
[
MS
]
[已完结]
MS建模—分子间的键合发生变化怎么办?
(1/563)
无声地活着
2012-04-18
2012-11-09 06:37:22
by
sunyulong
[
其他
]
[已完结]
DNA2.0
(0/420)
zhoumin1108
2012-11-08
2012-11-08 22:28:38
by
zhoumin1108
[
MS
]
[已完结]
xp上安装ms5.5出现installer terminated prematurely(如图)
(3/604)
yy1408
2012-09-24
2012-11-08 20:29:45
by
水木清清
[
其他
]
[已完结]
新手求助!gaussian优化运行时,L508出错,求解。
(0/352)
三寨叶子
2012-11-08
2012-11-08 15:35:11
by
三寨叶子
[
MS
]
[已完结]
打开MS文件出现的问题
(2/291)
alysa7
2012-11-07
2012-11-08 15:30:46
by
alysa7
[
MS
]
[已完结]
怎样在MS中自定义树形结构?
(4/620)
lucaca
2012-11-07
2012-11-08 13:25:10
by
zyj8119
[
MS
]
[已完结]
怎样获取晶体常数
(1/306)
zhongyunxia
2012-11-08
2012-11-08 12:01:38
by
chaizhm
[
Gromacs
]
[已完结]
生成psf时,出现unknown atom type
(
1
2
)
(14/1595)
xiaoze123
2012-10-16
2012-11-08 06:05:59
by
blueybz
[
专家会诊
]
[已完结]
请问那种软件可以实现这种功能。
(3/580)
Bessel
2012-11-06
2012-11-07 23:04:05
by
Bessel
[
MS
]
[已完结]
大家看一下这个图怎么做啊?
(7/674)
liuqiancheng
2012-10-26
2012-11-07 22:41:36
by
水月笼沙
[
MS
]
[已完结]
困难啊,需要支援~~~~~~~
(2/346)
zxl523
2012-11-06
2012-11-07 22:14:03
by
1234liang
[
Gromacs
]
[已完结]
Multi-Conformation Continuum Electrostatics
(0/288)
飞鱼飞鱼
2012-11-07
2012-11-07 19:57:01
by
飞鱼飞鱼
[
Gromacs
]
[已完结]
NAMD和AMBER在大规模并行下的计算速度问题
(3/844)
koalabear8655
2012-10-19
2012-11-07 19:19:15
by
wally8962
[
CPMD/CP
]
[已完结]
输出文件的自旋密度疑问
(1/1005)
z6242948
2012-11-07
2012-11-07 16:47:04
by
liujx2010
[
MS
]
[已完结]
minimize出错,求助!
(0/578)
xukm
2012-11-07
2012-11-07 15:41:26
by
xukm
[
Gromacs
]
[已完结]
[关贴]
求AMBER中离子液体的力场参数文件
(0/834)
cfmzxf84
2012-11-07
2012-11-07 14:35:13
by
cfmzxf84
[
CPMD/CP
]
[已完结]
CPMD几何优化的问题
(1/1135)
ewan
2012-05-17
2012-11-07 14:00:12
by
z6242948
[
DS/Syby
]
[已完结]
着急啊
(0/291)
zhchliu
2012-11-07
2012-11-07 10:20:02
by
zhchliu
[
其他
]
[已完结]
没有合适的模板只有序列还有方法模建么?
(2/285)
黑藻先生
2012-11-04
2012-11-06 21:55:46
by
黑藻先生
[
Monte C
]
【转帖】中科院理论物理所课程:分子建模与模拟导论
(
1
2
)
(评阅+4)
(14/2174)
zyj8119
2010-12-16
2012-11-06 21:35:20
by
weihaidoctor
[
其他
]
[已完结]
100-200纳米的胶体颗粒在固壁面上沉积成膜过程仿真用哪个软件更好
(3/995)
youzi009
2012-10-08
2012-11-06 19:58:41
by
jiaoyixiong
[
DS/Syby
]
[已完结]
AUTODOCK对接结果生成的dlg文件无法读取,求帮助
(2/475)
lchc1985
2012-11-06
2012-11-06 19:31:12
by
lchc1985
20940
162/210
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