thanks a lot Dr. axel of your attention .
Can I build data files of protein and polymer with different two force field manually?
best regards
thanks a lot Dr. axel of your attention .
Can I build data files of protein and polymer with different two force field
manually?
that doesn't make it a better idea.
you will still have the inconsistencies. why not use the same (newer)
charmm version for everything and stay consistent?
also, you still won't get all charmm27 and later features like
cross-terms, so your force field will be incomplete and thus also
questionable if not bogus. you'd be better uff using an MD code that
does support the charmm force field completely (there are several).
that being said. i don't know you, so i cannot tell if *you* are able
to do it, but the format of a data file is described in great detail
in the documentation of the read_data command.
axel.