Hi, I've unsuccessfully tried to run ddg_monomer app. I want to study the estability of a small protein after some mutations. I have used a pre-minimized pdb file as an input file, but I have the following error (last lines):
apps.public.ddg.ddg_monomer: reading in mutfile
apps.public.ddg.ddg_monomer: wt is N resnum is 25 and mut is P
apps.public.ddg.ddg_monomer: wt is Y resnum is 60 and mut is H
ERROR: Assertion `pose.residue(resnum).name1() == wt` failed.
ERROR:: Exit from: src/apps/public/ddg/ddg_monomer.cc line: 171
I have found a similar error in the Rosetta forum, but none of the solutions (https://www.rosettacommons.org/content/ddgmonomer-problem, https://www.rosettacommons.org/node/3443) worked for my problem. I am pretty new using Rosetta, so it's quite possible that I'm doing something wrong.
I have attached the files I used with the app. The original pdb file has an unsolved loop, and also has a n-glycated residue. I'm not sure if this can be a problem for ddg_monomer.
Any help/suggestion is very welcome!