********> bugfix.19 Author: Dave Case Date: 6/25/02 Programs: LEaP Severity: Moderate Description: the leaprc.ff02EP file loads the incorrect protein libraries (polarizable, but without lone pairs) Fix: apply the following patch to amber7/dat/leap/cmd/leaprc.ff02EP ------------------------------------------------------------- *** leaprc.ff02EP 2002/01/09 01:31:10 7.4 --- leaprc.ff02EP 2002/06/25 23:18:00 *************** *** 82,90 **** # Load main chain and terminating # amino acid libraries. # ! loadOff all_amino02.lib ! loadOff all_aminoct02.lib ! loadOff all_aminont02.lib loadOff ions94.lib loadOff solvents.lib --- 82,90 ---- # Load main chain and terminating # amino acid libraries. # ! loadOff all_amino02EP.lib ! loadOff all_aminoct02EP.lib ! loadOff all_aminont02EP.lib loadOff ions94.lib loadOff solvents.lib ------------------------------------------------------------- Workarounds: none Files affected: amber7/dat/leap/cmd/leaprc.ff02EP