[gmx-users] Radial distribution function by COM

2012-03-08 Thread Fabian Casteblanco
Hello everyone, Is there any way to do a g(r) plot between the COM of a single solute particle, and the COMs of each solvent molecule around it? It seems to only let your choice be the COM for the first pick. Is there any way to do it for both choices? Thanks. -- Best regards, Fabian F.

Re: [gmx-users] Radial distribution function by COM

2012-03-08 Thread Justin A. Lemkul
Fabian Casteblanco wrote: Hello everyone, Is there any way to do a g(r) plot between the COM of a single solute particle, and the COMs of each solvent molecule around it? It seems to only let your choice be the COM for the first pick. Is there any way to do it for both choices? I