Questions tagged [debugging]

Questions asking for help debugging one's own code, or debugging an issue when using someone else's code. Slightly different from the [software-assistance] tag which is for people asking for help with the usage of some software.

Filter by
Sorted by
Tagged with
8
votes
1answer
92 views

Modelling water using the TIP3P flexible system [closed]

I am modelling water using a TIP3P flexible system. I am using the pair, bond and angle parameters given on the LAMMPS webpage. I am trying to run an $NPT$ simulation at $298\,K$ and $1 \,\mathrm{atm}$...