[gmx-users] Limit on energygrp_table
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.
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