[gmx-users] Calculate Dihedrals
francesca.vitalini11 at gmail.com
Fri Feb 24 16:38:27 CET 2012
Hi GROMACS community,
I have one problem: I need to calculate the dihedrals for a big system
(so not possible to do it by hand using vmd) starting from a gro file.
Do you know if it exists an efficient way of doing it?
I've seen that the g_chi option exists, however, it doesn't suit for
me as it calculates dihedrals in a different way from the tool
g_dihfix for which I need this values.
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