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implement suggestions from @ndtrung81

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Axel Kohlmeyer
2025-03-25 11:27:19 -04:00
parent ca575e395e
commit 183486d813
1 changed files with 4 additions and 4 deletions
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doc/src/Howto_moltemplate.rst
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@ -76,10 +76,10 @@ the atom type will determine the bond type. The other bonded interactions
(e.g. angles, dihedrals, and impropers) will be automatically generated by
Moltemplate.
If the simulation is non-neutral, or Moltemplate complains that you have
missing bond, angle, or dihedral types, this probably means at least one
of your atom types is incorrect (or perhaps there is no suitable atom
type currently defined in the ``oplsaa2024.lt`` file).
If the simulation is not charge-neutral, or Moltemplate complains that
you have missing bond, angle, or dihedral types, this probably means that
at least one of your atom types is incorrect (or that perhaps there is no
suitable atom type currently defined in the ``oplsaa2024.lt`` file).
The second step is to create a master file with instructions to build a
starting structure and the LAMMPS commands to run an NPT simulation. The