[gmx-users] Lincs warning_set GMX_MAXCONSTRWARN to -1

[Anjali Patel]

Thank you @Mark Abraham & Naveen BK.

@ Mark Abraham
I have visualize the system and yes there are two H2O molecules which are
bonded to each other. Oxygen is bonded to other molecule's Hydrogen atom.
How i can solve this. should i do optimization again but how only for water
molecules?


With regards
Anjali Patel
Research Scholar
Department of Physics
The M S University of Baroda, Vadodara-390002