Hello, I am trying to make an ethanolamide C-terminal modification: -N-CH2-CH2-OH. Because of the atom naming, I am making it as a residue, rather than a patch. I have added an appropriate segment to protein.top and one of the missing impropers to protein.par.
The problem I ran into is that "psfGen.py" automatically patches the C-terminus with a "CTER". I can work around this by setting cterm='' in psfGen and also modifying the xplor.command a few lines later, but I would like some permanent solution. Something similar to the case of an acetyl group "if seq[0]=='ACE': nterm='' ", but for the last residue would be ideal. Thank you, Vitaly
