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
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