[AMBER] stfcdiffusion error

From: Diego de paula <diego.paula.s.gmail.com>
Date: Thu, 16 Jan 2014 00:43:46 -0200

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
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