Hi energybody,
I am doing a test with three CVs (COORDINATION) in COLVAR. The input
as follows.
And this section can be repeated and cannot be optional as said in the
mannual.
How could I implement 3 COORDINATION CVs, e.g. 1-13, 2-13, and 1-3 ?
&COORDINATION
ATOMS_FROM 2
ATOMS_TO 13
R_0 2.3
&END COORDINATION