[gmx-users] Tabulated potential error

2015-11-13 Thread Pallavi Banerjee
Hello all,

I am carrying out Iterative Boltzmann inversion on a polymer-water system.
I provide tabulated bond, angle, dihedral and a selected few non-bonded
interactions as input in the tabulated format. After only a few md steps, I
get the following error:

 A tabulated bond interaction table number 1 is out of the table range: r
2.648816, between table indices 1324 and 1325, table length 1251

What could be done to circumvent this issue?

Many Thanks

-Pallavi Banerjee
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Re: [gmx-users] Tabulated potential error

2015-11-13 Thread Mark Abraham
Hi,

Why do think you have a particle 2.6nm from another interacting with it?

Mark

On Fri, Nov 13, 2015 at 11:06 AM Pallavi Banerjee <
pallavis...@students.iiserpune.ac.in> wrote:

> Hello all,
>
> I am carrying out Iterative Boltzmann inversion on a polymer-water system.
> I provide tabulated bond, angle, dihedral and a selected few non-bonded
> interactions as input in the tabulated format. After only a few md steps, I
> get the following error:
>
>  A tabulated bond interaction table number 1 is out of the table range: r
> 2.648816, between table indices 1324 and 1325, table length 1251
>
> What could be done to circumvent this issue?
>
> Many Thanks
>
> -Pallavi Banerjee
> --
> Gromacs Users mailing list
>
> * Please search the archive at
> http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before
> posting!
>
> * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
>
> * For (un)subscribe requests visit
> https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or
> send a mail to gmx-users-requ...@gromacs.org.
>
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