[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system

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

Re: [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system

minnale wrote: 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

[gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system

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

Re: Re: [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system

Thanks for your prompt reply, according to you for membrane protein protocols keep restrain only on protein but not on lipid and water, is there any possibility to move water inside pore of the membrane when keep restrain only on protein. Could you please tell me Thanks a lot in advance On

Re: Re: [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system

Thanks for your prompt reply, according to you for membrane protein protocols keep restrain only on protein but not on lipid and water, is there any possibility to move water inside pore of the membrane when keep restrain only on protein. Could you please tell me Thanks a lot in advance On

Re: [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system

minnale wrote: Thanks for your prompt reply, according to you for membrane protein protocols keep restrain only on protein but not on lipid and water, is there any possibility to move water inside pore of the membrane when keep restrain only on protein. Could you please tell me Thanks a

Re: Re: [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system

Thanks for your invaluable reply to Justin and syma. On Sun, 29 Jun 2008 Justin A.Lemkul wrote : minnale wrote: Thanks for your prompt reply, according to you for membrane protein protocols keep restrain only on protein but not on lipid and water, is there any possibility to move

Re: Re: [gmx-users] Doubt regarding position restrain of protein embedded in popc bilayer system

Hi, If the position restraints are only on the protein, then the water and lipids are free to move about- assuming you have a cavity in your protein wide enough to accommodate water- then water (or lipids) depending on the nature and location of the cavity, should move in as a vacuum is not