求大神教我一下A类错误的修改方法，还有shift值怎么精修也下不去，望路过的大神们给我支个招，多谢多谢

SHFSU01_ALERT_2_A The absolute value of parameter shift to su ratio > 0.20
Absolute value of the parameter shift to su ratio given 1.310
Additional refinement cycles may be required.
PLAT080_ALERT_2_A Maximum Shift/Error ............................ 1.31 Why ?
PLAT213_ALERT_2_A Atom C206 has ADP max/min Ratio ..... 5.6 prolat
PLAT242_ALERT_2_A Low ’MainMol’ Ueq as Compared to Neighbors of C116 Check
PLAT242_ALERT_2_A Low ’MainMol’ Ueq as Compared to Neighbors of C149 Check
PLAT414_ALERT_2_A Short Intra D-H..H-X H12G .. H60 .. 1.64 Ang 返回小木虫查看更多