topological and parameter files for N-terminal proline

Yoram Puius puius at aecom.yu.edu
Wed Dec 23 10:15:42 EST 1998


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



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