VMD-L Mailing List

From: George Omolloh (george.omolloh_at_uconn.edu)
Date: Tue Aug 06 2013 - 15:06:26 CDT

I am a newbie to VMD and NAMD and need to mutate a residue in my protein
say residue 42 GLU to a nonstandard 42 GLN, with the sidechain N having an
extra ethyl group (-NH-CH2-CH3) before I continue with my molecular
dynamics. The parameters to these extra atoms are also in the OPLS
forcefield. How do I perform this type of mutation.
Thanks,

George O. Omolloh
Research Assistant - Prof. Gascon's Lab,
University of Connecticut