Re: [AMBER] RE_POSITION

From: Nisler, Collin R. <nisler.1.buckeyemail.osu.edu>
Date: Tue, 24 May 2016 01:15:24 +0000

Hi LI! I'm not particularly experienced with Amber, but I ran into this same issue. If you are running a simulation with ntb=0 it will do this because your protein or nucleic acid is "drifting" from it's original position and the program automatically re-centers it. Adding nscm = 0 in the input file solved the issue for me.

Collin Nisler

________________________________________
From: Wong Li Zhe <Wong.LiZhe.student.imu.edu.my>
Sent: Monday, May 23, 2016 8:07:15 PM
To: AMBER Mailing List
Subject: [AMBER] RE_POSITION

Dear AMBER users,


Would anyone be able to enlighten me on what does this line indicates in the output file?

Tried to Google but didn't get to anywhere.

RE_POSITION Moving by -0.111645 -0.200871 -0.094889

Thanks in advance.


Best regards,

Li Zhe


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Received on Mon May 23 2016 - 18:30:03 PDT
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