[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system
minnale
minnale_gnos at rediffmail.com
Sun Jun 29 17:49:52 CEST 2008
HI users,
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
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20080629/7cf4eea1/attachment.html>
More information about the gromacs.org_gmx-users
mailing list