********> bugfix.23
Author:   Dave Case
Date:     3/5/01

Programs: interface

Severity: severe

Description: The "amber.def" file was missing from the distribution.
         Some important interface functionality will not be present.

Fix: Put the following file in $AMBERHOME/src/interface/def.  You should
then re-run $AMBERHOME/src/interface/install_ambint.

! This is the IPS script for the AMBER MINMD/SANDER/GIBBS interface
!
! Author: David A. Pearlman
! Date: 2/91 -ff

!**************************** COPYRIGHT NOTICE ********************************
! This software is Copyright (c) 1991 David A. Pearlman, All Rights Reserved **
! This software is provided under license and may not be used, copied,       **
! modified, transmitted, inspected or executed by any means whatsover        **
! without the express written consent of the Copyright holder.               **
!**************************** COPYRIGHT NOTICE ********************************

  echo " AMBER/Interface front-end template (v 6) read"

! Define the directory path containing the needed files. Replace the string
! between quotes with the complete directory specification of location of
! the IPS scripts on your machine. Note that all punctuation to preceed the
! filename must be given here. Thus, we include the trailing / for a unix
! directory:

 REDIRECT = "/home/case/amber6/src/interface/def/" /DEFAULT

! assign the names of the programs to be run (if RUN specified)
! In each case, provide the complete program specification. Replace the
! strings between the quotes:

  ASSIGN PROGRAM_USE_MINMD = "/thr/gamow/amber7/exe/minmd"
  ASSIGN PROGRAM_USE_SANDER = "/thr/gamow/amber7/exe/sander"
  ASSIGN PROGRAM_USE_GIBBS = "/thr/gamow/amber7/exe/gibbs"
  ASSIGN PROGRAM_USE_PDBGEN = "/thr/gamow/amber7/exe/pdbgen"

! Assign the name of the dirctory to contain all the utility programs. Include
! any required trailing punction as for the REDIRECT command above. Replace
! the string between the quotes:

  ASSIGN UTILITY_DIR = "/home/case/amber6/src/interface/exe/"

! **** Done with machine-dependent specifications *****.

!
! Initialize all variables to -99989. Just a safety precaution.
!
 DEFINE INOMT = 0
 DEFINE RNOF = -99989.0

 nvassign info = 0
 nvassign ilogcom = 0
 nvassign ispecial_out = 0
 nvassign ap_str = " "
 nvassign ivms = 0
 define prompt = "ambint\> "
 define ifocnt = 2

! set initial memory mark:

  markmem

!
! Echo all messages with an indent of 5:
!
 echo end=79/indent=5/default

! ***************************************************************************
! Read the DEFER block which sets unitialized variables and does the actual
! variable writes. defer.def itself picks the appropriates writes depending
! on the type of run (includes additional REDIRECTS). 

  REDIRECT = "defdir:defer.def"

! ***************************************************************************
! Read the definitions of commands common to MINMD & GIBBS from both.def:

  REDIRECT = "defdir:both.def"

! ***************************************************************************
! Read the definitions of commands only interpreted in GIBBS (skipped in
! MINMD /SANDER) from gibbsonly.def

  REDIRECT = "defdir:gibbsonly.def"

! ***************************************************************************
! Get the TEMP command definition from temp.def

  REDIRECT = "defdir:temp.def"
                                                
! ***************************************************************************
! Read the definitions of commands only interpreted in MINMD/SANDER (skipped in
! GIBBS) from minmdonly.def

  REDIRECT = "defdir:minmdonly.def"

! ***************************************************************************
! Read the definitions of the GROUP command 

  REDIRECT = "defdir:group.def"

! ***************************************************************************
! Read the definitions specific to NMR-type restraints from nmr.def
! These commands are recognized but ignored in MINMD and GIBBS (only used
! in SANDER).

  REDIRECT = "defdir:nmr.def"

! ***************************************************************************
! Read the definition of the Ewald command. This has been updated to
! be usable with V6.0 Sander_PME

  REDIRECT = "defdir:ewald.def"

! ***************************************************************************
! Read the definition of the CNST (constraint definition) command:
! This command only has an effect in GIBBS.

  REDIRECT = "defdir:cnst.def"

! ***************************************************************************
! Read the definitions of the RUN command.

  REDIRECT = "defdir:run.def"

! ***************************************************************************
! Read the common utility command definitions from file misc.def

  REDIRECT = "defdir:misc.def"

!****************************************************************************
! Read any other definitions:

  REDIRECT = "defdir:timavg.def"