[gmx-users] 2 beginner´s questions

joao at lnls.br joao at lnls.br
Mon May 15 17:22:07 CEST 2006

Dear Gromacs community.

I am just starting my first dynamics and wonder if you could help me with:

1. Want to use some graphical program to see the atoms moving. Can I use 
ngmx? What other programs are available?

2. This is the near the end of my .top file in the final MD step:

; Position restraint for each water oxygen
[ position_restraints ]
;  i funct       fcx        fcy        fcz
    1    1       1000       1000       1000

If I want the waters to be free, should I comment out these lines?

Thank you, João.

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