On 26/07/2012 8:21 PM, niaz poorgholami wrote:
Dear gmx users
I did the simulations of carbon nanotube+surfactant+water molecules and I
would like to calculate probability distribution of the angle formed
between the vector of the surfactant molecules and CNT. Is there any
tools or programs in gromacs to do that?I have tried g_sgangle program but
it gave me the error.any suggestion would be highly appreciated.
Best regards
g_angle will observe angle distributions and g_analyse will post-process
anything about their distribution that g_angle cannot. Unfortunately
"the vector of the surfactant molecules and CNT" is not very good
description of what you are trying to observe. g_sgangle probably does
what you want but just reporting "it gave me the error" gives nobody the
opportunity to help you.
Mark
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