[molpro-user] too many mass redefinitions

[lydia]

Dear all,
I have a loop calculation with "do" and "enddo" , and also define the mass of each atom, but it stops at the 53th point (the number of total points is more than 100) and shows "too many mass redefinitions". 
How to solve this problem?
thanks!

yang 

发自我的 iPhone
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