[gmx-users] Limit on energygrp_table

Liu, Liang liu4gre at gmail.com
Wed Nov 30 07:25:48 CET 2011


The error shows as "An input file contains a line longer than 4095
characters, while the buffer passed to fgets2 has size 4095."

On Wed, Nov 30, 2011 at 12:22 AM, Mark Abraham <Mark.Abraham at anu.edu.au>wrote:

>  On 30/11/2011 5:09 PM, Liu, Liang wrote:
>
> Dear all,
>
>  I am trying to use tabulated potentials in my simulation. However, there
> is a limit on energygrp_table and the grompp reports error.
>
>
> What error?
>
>
>  The interaction happens between any two of atoms, and their might be
> more than 3000 possible couples.
> What should I do to remove the limit? Thanks.
>
>
> We don't know what limit you are observing.
>
> Mark
>
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-- 
Best,
Liang Liu
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