[gmx-users] the warning about the -rerun

[Jinyao Wang]

hi,gmx-users，

    I want to calculate the interaction energy between two group. 

So I modify the .mdp file as follows:
energygrps = Protein sol 

and make tpr file:
grompp -f md.mdp -c out.gro -p topol.top -o rerun.tpr -n index.ndx
mdrun -rerun md.trr -s rerun.tpr -o rerun.trr -c rerun.gro -e rerun.edr -g rerun.log

It gives warings:
WARNING: Some frames do not contain velocities.
         Ekin, temperature and pressure are incorrect,
         the virial will be incorrect when constraints are present.

How can I deal with the warning?
 

	

			

　　　　　　　　Jinyao Wang
　　　　　　　　wangjy at ciac.jl.cn
　　　　　　　　　　2009-06-30