[gmx-users] 4. Re: access code for qmmm (Mark Abraham)

[Mark Abraham]

Farzad Molani wrote:
> I have gromacs4.0.

At the very least that should be upgraded to 4.0.5. There are many 
significant known bugs in 4.0.

Also, please have a read of the tips on mailing list etiquette here, 
http://www.gromacs.org/Support/Mailing_Lists#Mailing_List_Etiquette 
especially the article linked at the bottom of that section. It's not 
the job of anyone here to spell things out in fine detail, especially if 
there's a good source of information already clearly available on the 
web. You stand the best chance of getting useful help if you demonstrate 
you are capable of at least attempting to solve basic problems yourself. 
If you need general UNIX help, there are plenty of sources of tutorial 
and reference material freely available after searching on Google.

Cheers,

Mark