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 ...
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 ...
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 ...
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 ...
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 ...