Re: [gmx-users] Regarding calculation of SDF

Hi, I can't tell whether you have a corrupted file, GROMACS has buggy code, or the analysis procedure is wrong. Mark On Mon, May 28, 2018 at 4:18 AM Dilip.H.N wrote: > Hi, > I want to calculate the Spatial Distribution Function of say N-terminal > nitrogen atom and all the oxygen atoms of the

Re: [gmx-users] Regarding calculation of SDF

Hello, Hoping for a positive response... Thank you. [image: Mailtrack] Sender notified by Mailtrack 05/31/18, 9:26:54 AM

Re: [gmx-users] Regarding calculation of SDF

What exactly is the issue? It isn't clear what the problem is; the fact it is having trouble with using the tng file format, or the output in the cube file that is then loaded into vmd? Catch ya, Dr. Dallas Warren Drug Delivery, Disposition and Dynamics Monash Institute of Pharmaceutical

[gmx-users] Regarding calculation of SDF

Hi, I want to calculate the Spatial Distribution Function of say N-terminal nitrogen atom and all the oxygen atoms of the water molecules. So, i have created the index file in which i have the nitrogen atom and all the oxygen atoms of water molecules. And here are my commands that i gave inorder