[gmx-users] General Questions abdout gromacs

[Erik Lindahl]

Hi Sven,

On Nov 21, 2005, at 6:11 PM, Sven Huttenhouse wrote:

>
> Thank you all for replying
>
> What is the command that I have to use to run the mdrun in the  
> backgroun?

Personally, I like the free program "GNU screen" that you can compile  
if it isn't already installed. This gives you access to multiple  
virtual terminals that can be detached and later reattached to see  
the output.

Alternatively you can just use "&" at the end of a command to run it  
in the background.

> where can I learn (read more) about  LINCS or SHAKE??
>

See the manual. Gromacs constraints use LINCS by default.

Cheers,

Erik

-----------------------------------------------------------
Erik Lindahl  <lindahl at sbc.su.se>
Assistant Professor, Stockholm Bioinformatics Center
Stockholm University, SE 106 91 Stockholm
Phone: +46 8 5537 8564     Fax: +46 8 5537 8214