********> bugfix 1. Author: Scott Brozell Date: 31 July 2008 Programs: antechamber Severity: minor Description: The ala2 charmm test parameter save output file was not updated for the phase change from 0.0 to 2.0. The patch below eliminates an incorrect possible failure in antechamber/charmm/ala2.prm.dif Fix: Apply the following fix to amber10/test/antechamber/charmm/ala2.prm.save --------------------------------------------------------------------------- *** test/antechamber/charmm/ala2.prm.save 15 Apr 2008 23:31:13 -0000 10.0 --- test/antechamber/charmm/ala2.prm.save 17 Jul 2008 19:34:35 -0000 10.1 *************** *** 51,58 **** c3 c3 c n 0.070 2 0.0 IMPHI ! X X c o 10.500 0 180.0 ! X X n hn 1.100 0 180.0 NONBONDED NBXMOD 5 GROUP SWITCH CDIEL - CUTNB 14.0 CTOFNB 12.0 CTONNB 10.0 EPS 1.0 E14FAC 0.83333333 WMIN 1.4 --- 51,58 ---- c3 c3 c n 0.070 2 0.0 IMPHI ! X X c o 10.500 2 180.0 ! X X n hn 1.100 2 180.0 NONBONDED NBXMOD 5 GROUP SWITCH CDIEL - CUTNB 14.0 CTOFNB 12.0 CTONNB 10.0 EPS 1.0 E14FAC 0.83333333 WMIN 1.4 --------------------------------------------------------------------------- Workarounds: Verify the antechamber charmm ala2 test results appropriately.