[AMBER] Number of triangulated 3-point waters found: 0

From: Shilpa Gupta <guptashilpa_91.yahoo.com>
Date: Thu, 3 Aug 2017 10:50:59 +0000 (UTC)

Dear Amber Users,

          I have simulated protein in the presence of water model SPCFw and in the output file of the simulation i have got Number of triangulated 3-point waters found: 0. When i build the pdb from the restart file i have got the coordinates of water molecule so i could not understand that in the output file why there are no triangulated 3-point waters present. The input is given as the mentioned in the attached pdf file. Thanks in advance.





Regards
Shilpa
Research Scholar

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Received on Thu Aug 03 2017 - 04:00:02 PDT
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