On 30 September 2016 at 23:42, Mahdi, Sam <sam.mahdi.846@xxxxxxxxxxx> wrote:
Hi Edward, So when I ran it as read_mol=0, it gave me the same error. But it worked once I changed it to read_mol=1. I thought mol=0 was for set A and mol=1 was for set B?
Sorry, I just remembered that the molecule numbering starts from 1. So read_mol=1 gives chain ID A and read_mol=2 gives chain ID B. I should add a check for this argument. Regards, Edward