Diferent Schrodinger versions causes parsing error in ffld_output
laumalo opened this issue · comments
Laura Malo commented
Description
When using different Schrodinger versions, the output file generated in the SchrodingerToolkitWrapper().un_ffld_server(m)
is not consistent with whitespaces and parsing error are generated when reading this file.
Solution
Instead of selecting the fields by index number, select the fields by spliting the line by whitespaces.