Dear jmol team,
I was trying to write xyz coordinates of a specific frame from an
optimization done with gaussian.
Using write coords XYZ Filename I end up with an xyz file that
contains all optimization steps in one structure (14820 atoms,
corresponding to 380 different structures in the
just select the models you want to write.
select 1.1
write coord XYZ model1.xyz
select 1.2
write coord XYZ model2.xyz
etc.
Sebastian Schwieger wrote:
Dear jmol team,
I was trying to write xyz coordinates of a specific frame from an
optimization done with gaussian.
Using write coords XYZ
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