[AMBER] Check overlap

From: John S <s.john634.gmail.com>
Date: Thu, 18 Mar 2010 21:41:09 -0400

> Dear Amber users,

Though checkoverlap worked out.It gives the output,specifying the atoms
that are closest by that distance .

[1] Is it possible to calculate it by residue .

[2] The results were generated but not in the specified output file .Can
anybody help me to show where I am getting wrong in my script and how should
we use this .

trajin trajectory.x 1000 1000
checkoverlap :1,2,3,4,5 min 1.0 around :1,2,3,4,5 out file.dat

I appreciate your suggestions.

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Received on Thu Mar 18 2010 - 19:00:03 PDT
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