[gmx-users] Distance of residue’s centre of mass to a surface (COM)

Dear users, If I want to calculate distance of each residue's COM of a protein to a surface is g_mindist going to be my friend? It is documented that g_mindist computes the distance between one group and a number of other groups. Both the minimum distance and the number of contacts within a given

Re: [gmx-users] Distance of residue’s centre of mass to a surface (COM)

On 3/27/15 8:03 AM, James Lord wrote: Dear users, If I want to calculate distance of each residue's COM of a protein to a surface is g_mindist going to be my friend? It is documented that g_mindist computes the distance between one group and a number of other groups. Both the minimum distance

Re: [gmx-users] Distance of residue’s centre of mass to a surface (COM)

Hi Justin, Thanks, g_dist is calculating the centre of mass of two groups and -dist option print all atoms in group 2 closer than dist to the centre of mass of group 1, while what I am looking after is the distance of COM of residues to a surface not the centre of mass of the surface. Am I missing

Re: [gmx-users] Distance of residue’s centre of mass to a surface (COM)

On 3/27/15 4:14 PM, James Lord wrote: Hi Justin, Thanks, g_dist is calculating the centre of mass of two groups and -dist option print all atoms in group 2 closer than dist to the centre of mass of group 1, while what I am looking after is the distance of COM of residues to a surface not the