[gmx-users] freeze group

Bio biochid at fastmail.fm
Tue Jan 9 12:53:26 CET 2007


Hello wisdoms!

We are performing the simulation of a protein of which the ion is
surrounded by three aminoacids with in nearly 3A distance.
Is it right to set my ion in the freeze group since it moves out of box
during EM steps




 
Else is there any strategy to fix the bug so that the coordinate bond
can’t be affected during the simulation.
Thany You,


Kindly Regards,
E.Elavazhagan.


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  Bio
  biochid at fastmail.fm

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