[gmx-users] Making easy position restrain

Hector Martinez-Seara Monne h.seara at qf.ub.es
Thu Nov 4 17:03:53 CET 2004


Hi all,
sorry in advance for the question because I'm sure it's not the first 
time that has been posted but I haven't been able to find it (also the 
manual gives a short example but not enough for allow me to completely 
understand how to use it). I just want to know if there's any easy way 
to define positions restrains over all the atoms of a type instead to 
number all one by one. If yes can you tell me how?. For example imagine 
I have a box of SPC water and I want to fix all oxygens ( this is very 
related with one of the questions I've read today) or I want to fix all 
the heads of a monolayer in a plane during the equilibration

Thanks in advance.




Thank you,

#################################
    Hector Martínez-Seara Monné

     Universidad de Barcelona
        Dept. Química Fisica

         hseara at netscape.net
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