Re: [AMBER] contiguous trajectory without iwrap=1

From: Bill Ross <>
Date: Wed, 7 Apr 2010 17:02:50 -0700 (PDT)

PS -

> I want to avoid issues with RSMD etc afterwards.

In any case the correct thing to do is rms fit to the reference
structure, which for a single molecule means you don't need to
worry about the effects of iwrap=1 (for coordinated molecules like
multi-strand nucleic acids, getting imaging right is a necessary step).


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Received on Wed Apr 07 2010 - 17:30:04 PDT
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