Re: [AMBER] Fast 3-point water residue error for coordinates

From: Sadegh Faramarzi Ganjabad <safaramarziganjabad.mix.wvu.edu>
Date: Mon, 8 May 2017 16:09:40 -0400

Daniel and Song-Ho,

I put "watnam='TIP3',OWTNM='OH2', hwtnm1='H1',hwtnm2='H2'," at the
beginning of my configuration file and it works fine now. As Song-Ho
correctly mentioned, the error was because of wrong residue/atom names.

Thanks for your help,
Sadegh
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Received on Mon May 08 2017 - 13:30:04 PDT