[AMBER] Exiting due to the presence of inconsistent SHAKEH hydrogen clusters. with pmemd.cuda

From: David Sáez <davidsaez.udec.cl>
Date: Mon, 14 May 2018 21:49:05 -0400

Hi, I think I am having with Amber2017 the same problem posted here:

http://archive.ambermd.org/201209/0247.html

Just want to know if there exists a solution. I created my topology with
parmed/chamber and it works perfectly with sander, but when I apply ntc=1
the multiple bond error makes reference to a non-hydrogen atom.

Regards.
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Received on Mon May 14 2018 - 19:00:03 PDT