[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


The links from the error messages would have led you to
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.


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

> @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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