VMD-L Mailing List
From: Jeremiah Babcock (zhc605_at_my.utsa.edu)
Date: Fri May 30 2014 - 03:25:40 CDT
I had the same question but never solved it. I put a lot of time
thinking of scripts to write. It doesn't seem like you have. However, I
second the question.
-- Jeremiah B On Thu, May 29, 2014 at 9:23 PM, bharat gupta <bharat.85.monu_at_gmail.com> wrote: > Okay.. if thats the case, then how can I get the hydrogen bond information > for each interacting atom of a residue .?? > > > On Fri, May 30, 2014 at 11:18 AM, John Stone <johns_at_ks.uiuc.edu> wrote: > >> Hi, >> JC Gumbart already answered your question previously, did you see >> his response?: >> > >> > This can happen because two residues can form more than one h-bond at >> once. >> > >> >> Cheers, >> John Stone >> vmd_at_ks.uiuc.edu >> >> >> On Fri, May 30, 2014 at 10:55:55AM +0900, bharat gupta wrote: >> > Hi, >> > I calculated the hydrogen bond occupancy for a residue during 10 ns >> > simulation. I found that for one hydrogen bond pair the occupancy is >> > around 130%?? Why the percentage is more than 100%??A >> > -- >> > Bharat >> >> -- >> NIH Center for Macromolecular Modeling and Bioinformatics >> Beckman Institute for Advanced Science and Technology >> University of Illinois, 405 N. Mathews Ave, Urbana, IL 61801 >> http://www.ks.uiuc.edu/~johns/ Phone: 217-244-3349 >> http://www.ks.uiuc.edu/Research/vmd/ >> > > > >