[gmx-users] doubled atoms

Marta Wisniewska marta.d.wisniewska at gmail.com
Mon Jan 11 18:44:57 CET 2016


Hello,

In my file, I found artifact. One side-chain of amino-acid has got a
doubled the last one atom. I got two O2 atoms instead  one O (from
carboxylic moiety). What should I do? If I will delete it, I'll get the
incorrect numbering.

Thank you in advance.

Bests,
Marta


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