Re: [AMBER] Facing difficulty in performing Amber Crystal simulations

From: Maria Nagan via AMBER <amber.ambermd.org>
Date: Fri, 7 Jul 2023 10:03:34 -0400

Hi,

What is your input? Can you provide a list of what you tried to type and the error you got?

Maria

> On Jul 7, 2023, at 9:24 AM, KAJAL ABROL via AMBER <amber.ambermd.org> wrote:
>
> Respected Sir/Ma'am,
>
> I am Kajal Abrol, from Pondicherry University, Puducherry, India, pursuing
> Ph.D under the guidance of Dr. R. Amutha, Professor, Department of
> Bioinformatics, Pondicherry University, Puducherry, India. While following
> the tutorial for Crystal simulations in Amber, I am facing difficulty in
> providing crystallization conditions to the protein and how to generate
> .prp, .frcmod file formats for the simulation and the preparation of cryo
> solution and its simulation. In this regard, I would like to request you
> to please provide suitable help for Add to Box utility/cryo
> solution preparation and further energy minimization and running Molecular
> dynamics simulations commands as these commands are not clearly mentioned
> in the Amber tutorial for Crystal simulations. It would be really helpful
> for me to carry out my research. I am looking forward to hearing from you
> soon.
>
> Thanking You,
> With Regards,
> Kajal Abrol
> Research Scholar
> C/O Dr. R. Amutha
> Department of Bioinformatics
> School of Life Sciences
> Pondicherry University
> Puducherry- 605014
>
> Email: kajalabl.bicpu.edu.in
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Received on Fri Jul 07 2023 - 07:30:02 PDT
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