博文

Compiling Desmond 3.4 from source code.

2013-2-14 17:30

Compiling Desmond from source code seems to be the most challenging work that I've ever found especially the latest V3.4. Fortunately, it was successfully compiled these days. During the sampling test, 2 CPU can even get up to 4 ns /day with NVE ensemble for a typical membrane system which is real ...

个人分类: 科研笔记|4091 次阅读|没有评论

SUSE Linux Enterprise 11 SP3 is on the road

2013-2-7 18:43

2013-02-14 SLE 11 SP3 Beta 1 + Conference call: New features 2013-02-28 SLE 11 SP3 Beta 2 + Conference call: UEFI + Secureboot 2013-03-07 Mid Survey 2013-03-14 SLE 11 SP3 Beta 3 + Conference call: HA + Geo 2013-04-04 SLE 11 SP3 Beta 4 + Co ...

个人分类: Linux相关|4550 次阅读|没有评论

Compile VMD-1.9.1 from source code

2013-1-29 19:09

As the most widely used MD analysis tool, VMD isdistributedthe pre-compiled version for almost all kinds of platform. However, if we would like to use advanced module of VMD such as running python script or render scene with alternative engine, the pre-compiled versions are most likely ...

个人分类: 科研笔记|7336 次阅读|没有评论

dos2unix, simple and helpful command

2013-1-26 01:34

Recently my colleague N provided me a script converting Desmond Viparr1 format into Vippar3 format. When I tried to run it under my Linux OS, it always claimed: : command not foundine 30: awk: cmd. line:1: fatal: cannot open file `XJUNKX' for reading (No such file or directory) awk: cmd. li ...

个人分类: Linux相关|3326 次阅读|没有评论

Four-stranded ‘quadruple helix’ DNA found in Cambridge

2013-1-22 16:54

Discovery opens up possibilities for a new generation of targeted therapies for cancer. Fromhttp://w ...

个人分类: 好文转载|3119 次阅读|没有评论

merry Christmas and happy new year

2012-12-20 23:55

个人分类: 科研笔记|2735 次阅读|没有评论

C60 mushroom

2012-12-12 02:07

The arts of nature

个人分类: 科研笔记|2846 次阅读|没有评论

GROMACS 4.6 beta1 released

热度 1 2012-11-30 15:48

From Gromacs community We've finally got the first beta release of GROMACS 4.6 ready for you to try out! We've put a lot of very hard work into it, and we hope you'll like the good things we've done. Things won't be perfect yet, so we'll be looking forward to your help finding the things we haven ...

个人分类: 好文转载|3415 次阅读|1 个评论 热度 1

DirSync Pro, a powerful and free file sync tool

2012-11-23 18:53

Here Irecommenda free file sync tool:DirSync Pro which works under Linux, Windows and macOS. Although it based on JAVA, it is stillamazingfast when sync files between local disk and USB hard disk. Download link: http://www.dirsyncpro.org/download.htm ...

个人分类: Linux相关|4884 次阅读|没有评论

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