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Title written to the binary file:
* PARAMETER VERSION 10 -- EXTENDED AND EXPLICIT SET -- 27 ATOM TYPES * COMPILED BY WFVG, SNS AND BDO -- MARCH 1979 * HYDROGEN BOND PARAMETERS CHANGED FROM VERSION 5 -- ONLY O-O,O-N,N-N * NONBONDED PARAMETERS FOR HYDROGEN (A-0.044,N-1,R-0.8 == EMIN-0.1) * PHIS INVOLVING C(CARBONYL) AND NITROGENS MADE CONSISTENT IN VER. 8 * O-H BOND FORCE CONSTANTS CHANGED TO 400.0 IN VERSION 9 * ADDED ANGLE FOR N-TERMINAL PROLINE -- BRUC * LAST UPDATE 16-Mar-1981 21:54:36
Additional angle for proline cropped up when a bug was found in
PATEXH
and explicit hydrogen topology file. The angle added was
CH1E-NH3-CH2E which was given the parameters for HC-NH3-CH1E which
appeared to be the closest angle to it. –Bruc