VMD-L Mailing List

From: Research Jubilant (research.jubilant_at_gmail.com)
Date: Wed May 14 2014 - 22:28:39 CDT

Hello Everyone,

I am trying to mutate a residue in a protein (actually 3 since it is a
homotrimer). I have psf and pdb files that I used in other simulations
without this mutation. Now I want to make a mutation and I have trouble in
doing so.

Can I use the same psf/pdb files and use 'mutate <resid> <new_resname>'
option followed by writing new psf/pdb files? or

Should I separate all the monomers into different pdbs and make psfs and
combine them?

I am very confused. Any help will be appreciated.

Thanks,

Julian