[gmx-users] Limit on energygrp_table

Mark Abraham Mark.Abraham at anu.edu.au
Wed Nov 30 07:29:07 CET 2011


On 30/11/2011 5:25 PM, Liu, Liang wrote:
> The error shows as "An input file contains a line longer than 4095 
> characters, while the buffer passed to fgets2 has size 4095."

No text table file needs a line this long. We still don't have 
information from you, but I expect you have a malformed file.

Mark

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