[AMBER] Question about how to calculate the mass center distance between adjacent repeat units of one polymer chain

From: Ԫ <tangyuanhui08.126.com>
Date: Sat, 2 Jun 2018 05:19:26 +0800 (CST)

Dear everyone!
This is Tasha from university of Arkansas. I want to calculate the mass center distance between the adjacent repeat units of one polymer chain. The polymer chain is in a polymer solution. I want to know the mass center distance distribution between adjacent repeat units, for example: distance between 1 and 2, 2 and 3, ..., 99 and 100. I have already known that there is a command 'distance' that can calculate the mass center between two specific residue like: distance 1 :1 :2 out 1.dat. However, is there another way to directly calculate the distance between adjacent units instead of two specific units?


Best wishes!



--
Dr. Yuanhui Tang
Ralph E. Martin Department of Chemical Engineering
University of Arkansas
Cato Springs Research Center
Fayetteville, AR 72701
email: yt006.uark.edu
voice: (479) 409-9989
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Received on Fri Jun 01 2018 - 14:30:02 PDT
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