Hi Jason, I had some trouble using pmemd.cuda and a prmtop file originated
by Parmed.
I posted my problem here: http://archive.ambermd.org/201709/0308.html
I think it is similar to this question:
http://archive.ambermd.org/201609/0398.html
But in my case the hydrogen atom is in a HSD residue, not in a water
molecule.
Sorry to write directly to you, but could you give some advice?
Thanks,
David.
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Received on Thu Sep 21 2017 - 14:00:03 PDT
