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Issue finding information for residue: CYSD

Open skaswur opened this issue 2 years ago • 2 comments

Dear users and developers,

Im running a simple test using a pure POPC membrane (boxsize10x10x10) generated by insane.py including PW and without protein. I run the following command cg2at -c bilayer.gro -w tip3p -o all -vv and continously get the following error:

"Issue finding information for residue: CYSD"

Is this due to a mismatch between the provided forcefield and provided fragments I am using? for Forcefield I would like to use charmm36 and opt for any of the charmm36 options when asked for it. For the fragments I have chosen (and combined others) mqartini_2 and 3 fragments. Nonetheless I keep getting the same issue. Some combinations yield the same issue but then for residue DAX.

Any mistake I am overseeing here? Can someone point me in the right direction?

skaswur avatar Dec 16 '22 15:12 skaswur