VMD-L Mailing List

From: Jeremiah Babcock (zhc605_at_my.utsa.edu)
Date: Fri May 30 2014 - 03:25:40 CDT

Bharat,
     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/
>>
>
>
>
>