Re: [gmx-users] [EXT] Re: Water in hydrophobic core of POPC lipid bilayer

2018-06-06 Thread Justin Lemkul
On 6/6/18 11:38 AM, Smith, Iris wrote: Hi Dallas, Thank you so much for your expedient response. I increased the radius from 0.375 to 0.600 however upon solvation, the water filled the hydrophobic core again, albeit not as much as the initial solvation (at radius 0.375 added 6338 water

Re: [gmx-users] [EXT] Re: Water in hydrophobic core of POPC lipid bilayer

2018-06-06 Thread Smith, Iris
Hi Dallas, Thank you so much for your expedient response. I increased the radius from 0.375 to 0.600 however upon solvation, the water filled the hydrophobic core again, albeit not as much as the initial solvation (at radius 0.375 added 6338 water molecules; at radius 0.600 added 4672 water