On Thu, Feb 13, 2020, Lod King wrote:
>
>I built and optimized an organic molecule using Gaussian. But the atom
>type naming is different from AMBER in Gaussian.
You need to be more specific about your problem. Gaussian doesn't use
atom types at all--these are a molecular mechanical concept. Also,
Gaussian doesn't really use atom names either, except as an avenue to
figure out the atomic number.
>
>and now I am having some troubles ...
But you haven't said anything about what these troubles are. As a wild
guess(!), atom names must be unique in Amber, but not in Gaussian.
...dac
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Received on Fri Feb 14 2020 - 05:00:02 PST
