/msdcon

Mean-Squared-Displacements from Molecular Dynamics trajectories

Primary LanguageFortran

Example input file msd.inpt:

disp.out
300 nmsdlength
2   nspecies
1728 number of species 1
-1.0 charge on species 1
864 number of species 2
2.0  charge on species 2
.false.  restart?
.false.  read disp.out data from this input file?
200      steps per disp.out frame
100.0    timestep      
174000   simulation length (timesteps)
.true.   skip disp.out header