The problem with X-PLOR 3.1 top/param files not having the patch for
the N-terminal proline is fixed in X-PLOR 3.851, I believe, so if
you switch to protein_rep.param, tophcsdx.pro, and toph19.pep, I think
it oughta work. You'll see a bunch of lines concerning an NH3 atom
type in protein_rep.param that say
!added 5/19/93 ATB
concerning this fix.
Mangling the old topology/param files to properly
patch the N-terminal PRO is much more effort than obtaining copies
of the new files (which I'll be happy to mail if you need them).
Good luck and happy holidays,
Y
--
_______________________________________________________________________
Yoram A. Puius Albert Einstein College of Medicine
M.D.-Ph.D. Student Department of Biochemistry
mailto:puius at aecom.yu.edu 1300 Morris Park Avenue, Bronx, NY 10461
http://www.geocities.com/Athens/Forum/7504
_______________________________________________________________________
I'm not afraid of succeeding nor am I of trying -- but
to say I knew exactly what I'm doing would be lying. - Meryn Cadell
