[gmx-users] About Solvation of Lipid Protein

Justin Lemkul jalemkul at vt.edu
Sun Oct 28 00:42:35 CEST 2012

On 10/27/12 5:16 AM, vidhya sankar wrote:
> Dear Justin Thank you for your Previous reply
>                                                                           I am  following your Protein-lipid Tutorial ( KALP peptide in DPPC)
> In your tutorial
>   How many   Number of Water Molecules  you  needed   to  solvate Lipid -protein
> When I solvate The Number of Water Molecules are   57647
> Is it Too high Or Ok

If you are working with the tutorial system, that's too many water molecules.  I 
can't remember the exact number, but I'm sure it's lower.  If you're working 
with your own system, I'm not going to try to blindly guess at what might be 



Justin A. Lemkul, Ph.D.
Research Scientist
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080


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