Dear all
hi, Iam one of new person to use lammps software. I am simulating a polymer chain. i used following input file. this file is running good but i cant get the out put of radius of gyration
please help in this regard.
LAMPPS INPUT FILE
read_restart restart.equil.5000000
fix 1 all nvt temp 1.0 1.0 0.2 # Tstart Tstop Tdamp#
thermo 1000
dump 1 all custom 1000 dump.xyz type x y z xu yu zu
timestep 0.002
compute RG all gyration/molecule tensor
variable RG1 equal ave(c_RG[1])
variable RG2 equal ave(c_RG[2])
variable RG3 equal ave(c_RG[3])
variable RG4 equal ave(c_RG[4])
variable RG5 equal ave(c_RG[5])
variable RG6 equal ave(c_RG[6])
reset_timestep 0
run 5000
write_restart restart.equil.*