plumed设置如下
cv1: ANTIBETARMSD RESIDUES=2-71 STRANDS_CUTOFF=1
METAD ARG=cv1 HEIGHT=2 SIGMA=0.1 PACE=2500 GRID_MIN=0 GRID_MAX=6 BIASFACTOR=10.0 TEMP=310
报错为ERROR: the system is looking for a value outside the grid along the 0 (cv1) index!
可是ANTIBETARMSD在定义上不可能为负值吧,为什么会报这样的错?