Hi,
If I get your problem correctly, maybe you can consider doing a hydrogen bond time series.
Here is a cpptraj tutorial for that
http://www.amber.utah.edu/AMBER-workshop/London-2015/Hbond/.
Best Regards
Elvis Martis
Mumbai, INDIA.
________________________________________
From: Thakur, Abhishek <axt651.miami.edu>
Sent: 02 October 2017 00:46
To: amber.ambermd.org
Subject: [AMBER] total frames for hbond
Hi everyone,
I want to figure out, that does the presence of one interaction denies the establishment of other interaction or not.
As I am doing hbond interaction and have observed two interaction
Bridge Res 222:ARG 1637:CP1 , 11167 frames.
Bridge Res 961:ASP 1637:CP1 , 10518 frames,
Total I have 20000 frames, so I want to know that is first interaction is getting over and the second interaction is happing or both are happening at the same time.
I guess if I can know all the frame numbers rather than total frame number then I can figure out my answer.
It will be great if I can know which frames together constituted the total of 11167 and 10518 frames for the following above mentioned interactions.
Thanking you,
-AT
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Received on Sun Oct 01 2017 - 21:00:01 PDT
