计算化学公社
标题:
什么体系都跑到一个点上
[打印本页]
作者Author:
alystone
时间:
2016-8-30 19:35
标题:
什么体系都跑到一个点上
真郁闷,不管是跑水盒子还是跑Amber官网的例子,所有的水分子都跑到一个点上去了,所有原子的坐标都跑到0附近
附件是我的输入 输出 和结构,其中min.inpcrd 和 runmd.inpcrd 就是我对应的rst文件,个人习惯改成了inpcrd, 能帮帮我看一下吗
(, 下载次数 Times of downloads: 3)
上传 Uploaded
点击下载Click to download
(, 下载次数 Times of downloads: 1)
上传 Uploaded
点击下载Click to download
(, 下载次数 Times of downloads: 1)
上传 Uploaded
点击下载Click to download
(, 下载次数 Times of downloads: 1)
上传 Uploaded
点击下载Click to download
(, 下载次数 Times of downloads: 1)
上传 Uploaded
点击下载Click to download
(, 下载次数 Times of downloads: 1)
上传 Uploaded
点击下载Click to download
(, 下载次数 Times of downloads: 1)
上传 Uploaded
点击下载Click to download
(, 下载次数 Times of downloads: 5)
上传 Uploaded
点击下载Click to download
(, 下载次数 Times of downloads: 1)
上传 Uploaded
点击下载Click to download
(, 下载次数 Times of downloads: 3)
上传 Uploaded
点击下载Click to download
欢迎光临 计算化学公社 (http://bbs.keinsci.com/)
Powered by Discuz! X3.3