请问,我要算这个体系中团簇的大小,改选哪个组呢?
Select group for least squares fit and RMSD calculation:
Group 0 ( System) has 25080 elements
Group 1 ( Other) has 25010 elements
Group 2 ( C2) has 190 elements
Group 3 ( Tf2N) has 150 elements
Group 4 ( C12) has 1470 elements
Group 5 ( Cl) has 70 elements
Group 6 ( EO) has 17400 elements
Group 7 ( no3) has 5800 elements
Group 8 ( Ion) has 70 elements
Group 9 ( C2) has 190 elements
Group 10 ( Tf2N) has 150 elements
Group 11 ( C12) has 1470 elements
Group 12 ( Cl) has 70 elements
Group 13 ( EO) has 17400 elements
Group 14 ( no3) has 5800 elements
Group 15 ( System) has 25080 elements
Select a group:
gmx cluster命令学习全文总结 gmx_mpi cluster -f md_*_mol.xtc -s md_*.tpr -method gromos -o rmsd-clust_*.xpm -g ...