>
> 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.
Thanks
John
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Received on Thu Mar 18 2010 - 19:00:03 PDT
