[gmx-users] Lincs warning_set GMX_MAXCONSTRWARN to -1

Mark Abraham mark.j.abraham at gmail.com
Thu Apr 4 11:21:43 CEST 2019


Hi,

The links from the error messages would have led you to
http://manual.gromacs.org/documentation/2019/user-guide/terminology.html#blowing-up.
There you will see the advice, which is to look at your system and see why
that water molecule (or its surroundings) is so unhappy.

Mark

On Thu, 4 Apr 2019 at 09:42, Anjali Patel <anjalipatel60316 at gmail.com>
wrote:

> @Mark Abraham than kyou for quick reply.
>
> I have checked as you have mentioned. in my system atom number 14616 has
> maximum force which is 9.8349776e+07. but it is SOL atom. so there is no
> issue at all. or should i worry for that? if yes how i can solve this
> problem
>
> With regards
> Anjali Patel
> Research Scholar
> Department of Physics
> The M S University of Baroda, Vadodara-390002
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