[gmx-users] Limit on energygrp_table
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.
> 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.
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> Liang Liu
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