subject:"\[gmx\-users\] Calculating the average separation between two multi\-atom groups"

Re: [gmx-users] Calculating the average separation between two multi-atom groups

2012-05-31 Thread Mark Abraham

On 31/05/2012 11:24 AM, Andrew DeYoung wrote: Hi, I have a system in a slab geometry. A surface exists at z = 0; many hydrogens protrude from the surface, and these hydrogens are mostly (but not precisely) immobile. Above the surface, there is liquid, including the anion BF4- (tetrahedral

[gmx-users] Calculating the average separation between two multi-atom groups

2012-05-30 Thread Andrew DeYoung

Hi, I have a system in a slab geometry. A surface exists at z = 0; many hydrogens protrude from the surface, and these hydrogens are mostly (but not precisely) immobile. Above the surface, there is liquid, including the anion BF4- (tetrahedral arrangement of fluorines around a central boron).