[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
cant be affected during the simulation.
Thany You,
Kindly Regards,
E.Elavazhagan.
--
Bio
biochid at fastmail.fm
--
http://www.fastmail.fm - Faster than the air-speed velocity of an
unladen european swallow
More information about the gromacs.org_gmx-users
mailing list