Re: [AMBER] protein-protein complex dissociation

From: Núbia Toman <>
Date: Fri, 17 Apr 2020 08:50:34 +0000

Hi, Anselm

It worked (unwrap+rms fit)!!! Many thanks 🙂

Probably was the iwrap=1 (as also suggested previously by David). As the re-imaging issue was solved, I can now really focus on the investigation of the partial dissociation of my complex.

Thank you all guys who tried to help me with this issue 😉.


Nubia P. Toman
PhD student, Bioinformatics
Universidade Federal de Minas Gerais
De: Dr. Anselm Horn <>
Enviado: sexta-feira, 17 de abril de 2020 05:10
Para: <>
Assunto: Re: [AMBER] protein-protein complex dissociation

Hi Nubia,

you could also try a simple unwrap command after stripping water and
ions, instead of using autoimage and image commands; combined with the
following rms fit it worked for me in several cases in the past.



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Received on Fri Apr 17 2020 - 02:00:01 PDT
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