VMD-L Mailing List

From: Lai, Jonathan (jlai7_at_illinois.edu)
Date: Thu Dec 22 2016 - 09:46:16 CST

Dear Amin,

The file 4QB8 has a few heteroatoms that aren't amino acids (e.g. PO4 and H2O). Have you tried removing these heteroatoms from the pdb file prior to calculating qres? Most of the time Multiseq does not know how to process heteroatoms from different pdb files (and this leads to all sorts of errors)--_000_BFA1B95FAA42B24EA25C4F89299D9DC62D693EC4CITESMBX5aduill_--