On Wed, Jul 22, 2020, Kliuchnikov, Evgenii wrote:
>I have figured out the reason. For those who may have faced the same
>problem. I looked into the code and found that tinker_to_amber is looking
>for the line " Atom Type Definition Parameters" in analout file. But for
>some reason, Tinker's analyze utility generates analout file with the
>line "Atom Definition Parameters". So, what you need to do is just to add
>word Type manually. And it works.
>
>Sorry for wasting your time.
You're not wasting out time! This is a great catch, and should help others,
including me. I'll check it out, and plan on creating an update.
As you know, gem.pmemd has only recently been added to AmberTools, so will
probably get more users now. We'll need to work on keeping things in sync
with Tinker.
...thx...dac
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Received on Wed Jul 22 2020 - 17:30:03 PDT
