********> bugfix.91 Author: Wendy Cornell Date: 4/28/97 Programs: all_aminont94.in Severity: Moderate Problem: Sign error Affects: net charge on molecules not integer. Fix: Make the following change to ../amber41/dat/all_aminont94.in and recreate db94.dat: --------------------------------------------------------------------- *** OLD all_aminont94.in Mon Oct 28 11:40:29 1996 --- NEW all_aminont94.in Mon Apr 28 12:06:01 1997 *************** *** 280,286 **** 7 H3 H E 4 3 2 1.010 60.000 -90.000 0.20830 8 CA CT M 4 3 2 1.449 121.900 180.000 -0.02230 9 HA HP E 8 4 3 1.090 109.500 300.000 0.12420 ! 10 CB CT 3 8 4 3 1.525 111.100 60.000 -0.01180 11 HB2 HC E 10 8 4 1.090 109.500 300.000 0.02260 12 HB3 HC E 10 8 4 1.090 109.500 60.000 0.02260 13 CG CT 3 10 8 4 1.525 109.470 180.000 0.02360 --- 280,286 ---- 7 H3 H E 4 3 2 1.010 60.000 -90.000 0.20830 8 CA CT M 4 3 2 1.449 121.900 180.000 -0.02230 9 HA HP E 8 4 3 1.090 109.500 300.000 0.12420 ! 10 CB CT 3 8 4 3 1.525 111.100 60.000 0.01180 11 HB2 HC E 10 8 4 1.090 109.500 300.000 0.02260 12 HB3 HC E 10 8 4 1.090 109.500 60.000 0.02260 13 CG CT 3 10 8 4 1.525 109.470 180.000 0.02360 --------------------------------------------------------------------- Temporary workarounds: none