[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,

  biochid at fastmail.fm

http://www.fastmail.fm - Faster than the air-speed velocity of an
                          unladen european swallow

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