[gmx-users] About Packaging of Protein by Lipids
vidhya sankar
scvsankar_agr at yahoo.com
Thu Oct 25 17:40:02 CEST 2012
Dear Justin Thank you for your Previous reply,
But When I use Vandewalls Radii for Carbon Atom 0.375 As Quoted in your tutorial Then My Protein-Lipid System is solvated with 22000 Water Molecules Most of them are Within Bilayer . This is Huge number I Think
From your reply Mail I came to Conclusion that I need to Pack Lipid effectively Around Protein using
inflategro .pl script (By doing More number of iterations Than I did Before ) Thereby I can Eliminate Presence of Void In my system
Is My Above Understanding is correct or Not ?
Also When I do the more Iteration using inflategro.pl script
My area per lipid Is very less than Experimental value for DPPC lipid (62 A)
Then Can i continue My solvation with this Low area ( I am using Box size of 6 6 6 )
Thanks In Advance
More information about the gromacs.org_gmx-users
mailing list