Re: Free MD simulation (Production run)

From: Roshan Shrestha (roshanpra_at_gmail.com)
Date: Fri Sep 08 2017 - 02:36:04 CDT

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Sorry, I got the answer myself. I should be using sim_fixprot.pdb (obtained
after Position restraint MD) rather than emin.pdb.
Thanks

On Fri, Sep 8, 2017 at 1:17 PM, Roshan Shrestha <roshanpra_at_gmail.com> wrote:

> Dear all,
> Here, emin.pdb and sim_fixprot.pdb are the coordinates files
> obtained after running minimization and position constraint MD. I have
> attached my conf file for running Production run after position constraint
> MD. My query is:- In input coordinates section of the configuration; shall
> I use sim_fixprot.pdb (obtained after position constraint MD) or emin.pdb
> (obtained after minimization.
> Thanks
>
> --
> Roshan Shrestha
> M.Sc (Physics)
> Central Department of Physics, Tribhuvan University
> Kathmandu, Nepal
>
>
>
>

-- 
Roshan Shrestha
M.Sc (Physics)
Central Department of Physics, Tribhuvan University
Kathmandu, Nepal

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