Nine Rivers

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Entries for the ‘Work notes’ Category

Hide the command console window while running a GUI/Command line program on Windows

While running a command line program or some GUI initiated from command line on Windows, there is always a black console window on the screen. This sometime becomes annoying. For example, when you start the Eric Python IDE on Windows, normally you start it by calling a batch file “eric4.bat” which calls the actual eric4.py [...]

Compile gromacs on Cygwin

Just some notes: 1. manually download and install fftw3. Do not use the cgywin package, or the path will not be recognized by Gromacs. 2. Needed Cygwin packages: lapack, gcc, g77, make and nasm. nasm is required for both fftw and Gromacs in order to compile the assembly codes.

A bash script to plot multiple files in old version of gnuplot

For gnuplot version older than 4.4, ‘plot for’ is not an option to plot multiple files. In order to make it work and easier, I wrote a BASH script to generate the gnuplot input for multiple file plotting. You are lucky too find this if you are still using old version of gnuplot. No need [...]

Nonbond interactions in Materials Studio and unit conversion

1. by default, while using cff91, 1-2, 1-3 pairs are excluded. But 1-4 pair is considered as nonbond pairs. This is valid for both vdW and electrostatic interactions.

van der Waals

Internal overflow compressing coordinates

I occasionally got this error while running some mpi programs. I could not find the exact reason. Even when I google it, it seems no relevant explanation of it. By investigating the codes with debugger, I notices some data in the memory are huge, when I correct them, the error information was gone too. Therefore [...]

Mount Windows shared folders automatically with fstab

A Windows shared folder can be mounted automatically with correct setting in /etc/fstab. The method introduced in this post allows Samba mounting with logon credentials but only visible to the root and specified user.

Add menu item to Mantis

Modify config_inc.php and add 12345678$g_enable_project_documentation = ON; $g_smtp_host = ‘localhost’; $g_window_title = ‘SimuWorld Bugtracker’; $g_logo_image = ‘images/mantis_logo.gif’; $g_favicon_image = ‘images/favicon.ico’; //The following line add two custom menu items with different access level controls //The contants used here can be found in ./core/constant_inc.php, e.g. DEVELOPER, ANYBODY etc. $g_main_menu_custom_options = array( array( "WebSVN",DEVELOPER,’url_to_websvn’ ),array( "test", ADMINISTRATOR,” ) [...]

Subversion+websvn on Debian

To get subversion+apache2 work on Debian is not very difficult. Basically including the following steps (ref: this post):

通过Samba在VirtualBox的guest和host间共享目录

Virtualbox支持客户机和宿主机之间共享目录,但是根据版本不同,会有些问题。例如对于3.1.x版本,windows XP host和Debian guest组合下,VBox自己的共享目录(写入)性能极差甚至报错(本人遇到)。其实,在客户机和宿主机之间共享文件的还有一些其他方式,例如可以通过ftp或samba,二者都支持所有操作系统下的共享,但是相比之下samba更具优点,因为在Windows和Linux下都可以把Samba共享目录映射为本地磁盘目录。

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