(no subject)

Hi Seyyed

I checked your files. you have followed TIP4P with the long-range Coulombic solver.
According to LAMMPS manual, the TIP4P model is rigid, however, you have taken it flexible
with bond and angle constants 450 and 55, respectively. Seemingly, you have taken this values from charmm FF.

So, what is right?!

Could anybody clear this issue?

Bests
Albert


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