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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,
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
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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