[gmx-users] g_chi dihtrans.xvg (output just for chi angle)
mynowak at cyf-kr.edu.pl
Wed Jun 16 20:05:42 CEST 2004
Is it possible to force g_chi to print dihtrans.xvg (-ot) only for desired
chi angle? Seems like it always includes data for phi and psi, no matter
if they were specified for output or not. For instance: I get # of
transitions = 2 or 3 in dihtrans.xvg, although I set -maxchi 1 and don't
specify -phi and -psi, which should limit g_chi only to chi1.
The problem occurs in both versions of g_chi: regular and extended (from
I use version 3.1.4, if this was fixed in 3.2, please let me know.
Thanks in advance.
Mateusz Nowak M.Sc. |
Institute of Pharmacology |
Polish Academy of Sciences |
ul. Smetna 12 |
31-343 Krakow |
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