#!/bin/bash # # Script to apply AMBER 10 bugfix.all # # Written by Ross Walker (SDSC) # # Version 1.0 # 10/19/2009 - Support bugfix.26 (chamber) # if [ $# != 1 ]; then echo "Usage:" echo " ./apply_bugfix_all.x path_to_bugfix.all_patch_file" exit 1 fi echo "Applying all bugfixes in $1" if [ "$AMBERHOME" == "" ]; then echo "AMBERHOME environment variable not set." echo "Cannot continue." exit 1 fi echo "Patching AMBER installation in $AMBERHOME" echo "Directory exists warnings can be safely ignored." #Specifics for bugfix.26 cd $AMBERHOME mkdir test/chamber mkdir test/chamber/md_engine/ cd test/chamber/md_engine/ mkdir dhfr touch dhfr/inpcrd touch dhfr/mdout.dhfrc_charmm.min.save touch dhfr/mdout.dhfrc_charmm.save touch dhfr/prmtop touch dhfr/Run.dhfr_charmm.md touch dhfr/Run.dhfr_charmm.min mkdir dhfr_cmap touch dhfr_cmap/inpcrd touch dhfr_cmap/mdout.dhfr_charmm.min.save touch dhfr_cmap/mdout.dhfr_charmm.save touch dhfr_cmap/prmtop touch dhfr_cmap/Run.dhfr_charmm.md touch dhfr_cmap/Run.dhfr_charmm.min mkdir dhfr_cmap_pbc touch dhfr_cmap_pbc/inpcrd touch dhfr_cmap_pbc/mdout.dhfr_charmm.md.save touch dhfr_cmap_pbc/mdout.dhfr_charmm.min.save touch dhfr_cmap_pbc/mdout.dhfr_charmm_noshake.md.save touch dhfr_cmap_pbc/mdout.dhfr_charmm_noshake.min.save touch dhfr_cmap_pbc/prmtop touch dhfr_cmap_pbc/Run.dhfr_cmap_pbc_charmm.md touch dhfr_cmap_pbc/Run.dhfr_cmap_pbc_charmm.min touch dhfr_cmap_pbc/Run.dhfr_cmap_pbc_charmm_noshake.md touch dhfr_cmap_pbc/Run.dhfr_cmap_pbc_charmm_noshake.min chmod 755 dhfr/Run.dhfr_charmm.md chmod 755 dhfr/Run.dhfr_charmm.min chmod 755 dhfr_cmap/Run.dhfr_charmm.md chmod 755 dhfr_cmap/Run.dhfr_charmm.min chmod 755 dhfr_cmap_pbc/Run.dhfr_cmap_pbc_charmm.md chmod 755 dhfr_cmap_pbc/Run.dhfr_cmap_pbc_charmm.min chmod 755 dhfr_cmap_pbc/Run.dhfr_cmap_pbc_charmm_noshake.md chmod 755 dhfr_cmap_pbc/Run.dhfr_cmap_pbc_charmm_noshake.min cd $AMBERHOME/src/pmemd/src/ touch angles_ub.fpp touch charmm.fpp touch charmm_gold.fpp touch cmap.fpp touch dihedrals_imp.fpp touch mdin_debugf_dat.fpp #Apply patch cd $AMBERHOME patch -p0 -N <$1 echo "Done"