Re: minimization error

From: Peter Freddolino (petefred_at_umich.edu)
Date: Sat Sep 09 2017 - 22:51:23 CDT

You'd need to post your config file for more details, but I'm guessing that
it has something to do with the fact that LJ tail corrections require
periodic boundary conditions to be on...
Best,
Peter

On Fri, Sep 8, 2017 at 8:48 PM, Natasha Gupta <ngupta.r_at_gmail.com> wrote:

> Hi,
>
> Has anyone seen the following error when minimizing a system and have any
> advice?
>
> TCL: Suspending until startup complete.
> Warning: The following variables were set in the
> Warning: configuration file but will be ignored:
> Warning: readexclusions (amber)
> Warning: scnb (amber)
> FATAL ERROR: Can't use LJ tail corrections without periodic boundary
> conditions!
>
> Regards,
> Natasha
>

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