VMD-L Mailing List

From: soroush ziaei (soroush.ziaei7337_at_gmail.com)
Date: Sun Nov 04 2018 - 05:49:31 CST

hi all,
i have some structure that doesn't have any similar topology in charmm22
(protein) & charmm 27 (lipid) and i have tried several servers such as,
cgenff & swiss param, but the .rtf file generated from this method
gathering all of atom types in one group, why?
is there something that i might be missing?
meanwhile, i want to use this topology in order to detect groups and atoms
for running free energy perturbation simulation (fep)...
what should i do?
if someone who know the solution, i must to tell please guide me, i
appreciate.

regards,
soroush