The proper structure of a parameter file is well documented. If you edit (or combine) these files and something breaks, an honest effort to better understand the file format and find your mistake ought to be the initial steps. Posting all your files on the wrong forum and hoping someone will read them and help is another approach, but the wrong forum and simple error indicate someone who is not sufficiently focused on the details. We are also very busy working scientists who answer questions here on a volunteer basis. We appreciate that CHARMM can be difficult to learn, but we also appreciate due diligence before posting.


Rick Venable
computational chemist