- Coul. recip. LJ recip. COM Pull En. Quantum En. Potential
- 1.13000e+01 1.14000e+01 1.29000e+01 1.11000e+01 1.05000e+01
- Kinetic En. Total Energy Conserved En. Temperature Pres. DC (bar)
- 1.06000e+01 1.07000e+01 1.30000e+01 1.08000e+01 1.26000e+01
- Pressure (bar) dVremain/dl dEkin/dl dVcoul/dl dVvdw/dl
- 1.09000e+01 1.24000e+01 1.23000e+01 1.19000e+01 1.20000e+01
- dVbonded/dl dVrestraint/dl Constr. rmsd
- 1.21000e+01 1.22000e+01 0.00000e+00
+ Coul. recip. LJ recip. COM Pull En. Potential Kinetic En.
+ 1.13000e+01 1.14000e+01 1.29000e+01 1.05000e+01 1.06000e+01
+ Total Energy Conserved En. Temperature Pres. DC (bar) Pressure (bar)
+ 1.07000e+01 1.30000e+01 1.08000e+01 1.26000e+01 1.09000e+01
+ dVremain/dl dEkin/dl dVcoul/dl dVvdw/dl dVbonded/dl
+ 1.24000e+01 1.23000e+01 1.19000e+01 1.20000e+01 1.21000e+01
+ dVrestraint/dl Constr. rmsd
+ 1.22000e+01 0.00000e+00