#1 error in reading partial charge file

[Anonymous]

If a line in a partial charge is too long (>1024 characters), then the file input fails.

This is probably due to the limited size of the buffer to read lines in the partial charge file:

in void MoleculeSet::readPartialCharges(string fileName)
(...)
int linesize = 2048;
(...)
}

I would suggest to first read the file to check the lenght of the longest line, in order to adapt the buffer length.

cheers
jp