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1

thanks a lot sir,

now its running and i got some files created but unable to sort out which one is giving me the angle information?as it is written in the manual that orientationProj ,The returned value is the cosine of the angle of rotation q between the current and the reference positions. The range of values is [-1:1].

this are the output files created

1.out.colvars.state
2.out.colvars.traj
3.out2.colvars.state
4.out2.colvars.traj

fix 2 all colvars orientation.in

fix 2 all colvars orientation.in input out.colvars.state output out2

2

Hello Ialtu, please ask a specific question after reading the documentation relevant to what you are trying to do.

Giacomo