[AMBER] cpptraj and nastruct

From: Jing Qu via AMBER <amber.ambermd.org>
Date: Mon, 26 Jun 2023 00:35:37 -0400

Dear all,

I'm using CPPTRAJ to analyze simulations of parallel strand DNA and want to
get step parameters via nastruct. Does anyone know how nastruct identify
the molecule as parallel strands? If I write "guessbp bptype para" in the
nastruct command, the program will simply get stuck and look as if it is
not continuing to run at all. If I just write "guessbp", it would seem to
treat the molecule as anti-parallel. What is the correct way to do that?

Thanks in advance,
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Received on Sun Jun 25 2023 - 22:00:02 PDT
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