Dear Amber users and developers,
I am trying to use Amber for interfacial tension calculations.
Thus, I need the diagonal components of the pressure tensor.
For the CPU code I was able to identify the press() array and print the
components. Although, for the GPU version I could not find anything
similar. I do not know much of cuda, so it can be something obvious but I
cannot see.
Do anyone know where on which array the GPU version of pmemd stores the
pressure tensor?
Yours sincerely,
_________________________________
James Moraes de Almeida
Universidade Federal do ABC
Centro de Ciências Naturais e Humanas
Santo André - São Paulo - Brazil
www.almeida.page
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Received on Mon Jun 07 2021 - 15:30:02 PDT
