用grompp -f em.mdp -c kor.gro -p kor.top -o kor.tpr产生了如下提示信息:
Analysing Protein...
Analysing residues not classified as Protein/DNA/RNA/Water and splitting into groups...
Number of degrees of freedom in T-Coupling group rest is 523524.00
Largest charge group radii for Van der Waals: 0.735, 0.701 nm
Largest charge group radii for Coulomb: 0.735, 0.701 nm
WARNING 1 [file em.mdp]:
The sum of the two largest charge group radii (1.435946) is larger than
rlist (1.000000)
问一下我是不是把rlist值变大就可以了,还是需要其他的修改啊?