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 😉.
Best,
Nubia P. Toman
PhD student, Bioinformatics
Universidade Federal de Minas Gerais
________________________________
De: Dr. Anselm Horn <anselm.horn.fau.de>
Enviado: sexta-feira, 17 de abril de 2020 05:10
Para: amber.ambermd.org <amber.ambermd.org>
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.
Regards,
Anselm
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Received on Fri Apr 17 2020 - 02:00:01 PDT
