[AMBER] bug report: tinker_to_amber failed for systems containing counter ions

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From: Amber Amoeba <amoeba.amber.gmail.com>
Date: Tue, 5 Mar 2013 14:33:21 -0600

Hi Ye,

Can you tell me which version of tinker (analyze) are you using?
How did you add the metal ions into tinker xyz and PDB files?
After you prepare the tinker files, before you run tinker_to_amber, were
you able to run tinker analyze or minimize and get an energy?

Thanks
Pengyu Ren
UT Austin
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Received on Tue Mar 05 2013 - 13:00:03 PST