[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system
minnale_gnos at rediffmail.com
Sun Jun 29 17:49:52 CEST 2008
I have embedded protein in popc bilayer and ran the minimisation succesfully , before going equilibration I would like to confirm one thing that how to run the equilibration with on which system keep position restrain?
1.we will keep position restrain on all the systems(-DPOSRES_PROTEIN, -DPOSRES_LIPID, -DPOSRES_WATER) at a time ?
or 2. keep position resrain on each system at a time and
3.is it require to keep position restrain on water?
Could you tell me clearly pls
Thanks alot in advance
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