标题: msd 命令的使用问题 [打印本页] 作者Author: 哆啦哆啦 时间: 2018-7-4 15:25 标题: msd 命令的使用问题 在gromacs 中做msd我输入以下命令 gmx msd -f md.xtc -s .md.tpr -o msd.xvg 怎样选多个组进行模拟，比如我想选Group2 ,3, 4,5
Select a group to calculate mean squared displacement for:
Group 0 ( System) has 62344 elements
Group 1 ( Other) has 62344 elements
Group 2 ( Dpa) has 240 elements
Group 3 ( Dpb) has 240 elements
Group 4 ( Dpc) has 240 elements
Group 5 ( Dpd) has 240 elements
Group 6 ( Dpe) has 240 elements
Group 7 ( LIG) has 14080 elements
Group 8 ( BLa) has 37259 elements
Group 9 ( BLb) has 9805 elements
Select a group: