[gmx-users] About Restraint -NPT Equlibration

[vidhya sankar]

Dear Justin,
                   

                Thank you for your Previous reply. 

 I am  Doing    Protein- Lipid  Simulation  For My Assembly Of Cyclic Peptide As you Told Me I  Have Used The Restraint on water oxygen Atom  Along the Z-direction for My NVT equilibration There is No Leakage of water to Hydrophobic part of Lipids  O. K

But When I  am continuing NPT Equilibration The Water Molecules are Started to Diffuse Slightly  to Hydrophobic Part  My question is 

May I Again use Water Restraint for NPT equilibration? to avoid this Water Diffusion 



Thanks IN Advance