[gmx-users] dihedral angles
melicher at cray.dbp.fmph.uniba.sk
Tue Feb 24 14:33:00 CET 2004
I have simulation of phospholipid menbrane and I need to calculate trans
fraction as a function of position of dihedral angle in lipid chain (I means
that the points on x axis will be - (dihedral between C1A,C1B,C1C, C1D as a
1st point; dihedral between C1B,C1C,C1D, C1E as a 2nd point; etc.).
I alse need to calculate the transition time as a function which depend on
same thing as the function above. But I don't know, how to compute it (I
suppose I sould use a g_angle).
Thanks for an advice.
ps: if it is not clear what I meaned by X axis, I can send a picture with
similar graph I need.
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