Dear Amber users:
I am using ptraj and want to see how and which
pair of atoms are less than 2.5 A°.
When using checkoverlap in ptraj with min 2.5, it appears a list of atoms
pairs that are less than 2.5. But those pairs are bonded atoms. I would like
to find pairs of atoms that are close but non-bonded
If someone knows, please, let me know.
Thanking in advance
Gustavo
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Received on Thu Jun 02 2005 - 18:53:00 PDT
