Dear all,
I have simulated a surface that interacts with ions using the PMEMD code on
AMBER12. I try to run the stfcdiffusion command with the proper flags
(stfcdiffusion mask .I- mask2 :.O4* lower 1.0 upper 6.0 out diffusion.dat
com) but I found the error "No atoms of mask 1 left for processing". I have
used the unwrap command to correct the wrapped system. I think that the
analysis fall down when no atom are found in the layer. Could someone
explain me what is wrong?
--
Diego de Paula Santos
Doutorando em Química
Universidade Federal de Pernambuco
Centro de Ciências Exatas e da Natureza
Departamento de Química Fundamental
Laboratório de Química Téorica e Computacional
Contato: 2126-8440 ramal 5007
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Received on Wed Jan 15 2014 - 19:00:03 PST
