[gmx-users] Regarding Extracting Coordinates of Solvent in FCS alone

2012-01-22 Thread Ravi Kumar Venkatraman
Dear All, I have situation rite now like, I have to take the Solute and Solvent Coordinates from First Coordination Shell / FCS + Second CS. Please give me some suggestion for doing the same. Thank you *With Regards, Ravi Kumar Venkatraman, IPC Dept., IISc, Bangalore, INDIA.

Re: [gmx-users] Regarding Extracting Coordinates of Solvent in FCS alone

2012-01-22 Thread Mark Abraham
On 23/01/2012 5:19 PM, Ravi Kumar Venkatraman wrote: Dear All, I have situation rite now like, I have to take the Solute and Solvent Coordinates from First Coordination Shell / FCS + Second CS. Please give me some suggestion for doing the same. Have a think about what geometric