!+ Specification and control of Amber's Input/Output ! File names character(len=4096) groupbuffer character(len=256) mdin, mdout, inpcrd, parm, restrt, & refc, mdvel, mden, mdcrd, mdinfo, nmrf, mincor, & vecs, radii, freqe,redir(8),rstdip,mddip,inpdip,groups,gpes, & cpin, cpout, cprestrt, evbin, evbout, mmtsb_setup_file, inptraj character owrite, facc common /files/ groupbuffer, mdin, mdout, inpcrd, parm, restrt, & refc, mdvel, mden, mdcrd, mdinfo, nmrf, mincor, & vecs, radii, freqe, owrite, facc,rstdip,mddip,inpdip,groups,gpes, & cpin, cpout, cprestrt, evbin, evbout, mmtsb_setup_file, inptraj ! put this in a separate common block to stop the compiler from ! complaining about misalignment integer numgroup common/nmgrp/ numgroup ! File units ! An I/O Unit resource manager does not exist. integer MDCRD_UNIT integer INPTRAJ_UNIT integer MDEN_UNIT integer MDINFO_UNIT integer MDVEL_UNIT parameter ( MDINFO_UNIT = 7 ) parameter ( MDCRD_UNIT = 12 ) parameter ( INPTRAJ_UNIT = 24 ) parameter ( MDEN_UNIT = 15 ) parameter ( MDVEL_UNIT = 13 ) ! FROZEN_FORCES integer, parameter :: MDFRC_UNIT = 99 character(256), parameter :: frcout = "force.out" ! FROZEN_FORCES integer, parameter :: CNSTPH_UNIT = 18, CPOUT_UNIT = 19 ! 18 was picked because CNSTPH uses it; conflicts are not expected. integer MMTSB_UNIT parameter ( MMTSB_UNIT = 18 ) !! !! EVB I/O unit !! integer, parameter :: evb_unit = 75 ! File related controls and options character(len=80) title,title1 common/runhed/ title, title1 logical mdin_ewald,mdin_pb,mdin_amoeba common/mdin_flags/mdin_ewald,mdin_pb,mdin_amoeba integer BC_HULP ! size in integers of common HULP parameter ( BC_HULP = 9 ) integer ntpr,ntwr,ntwx,ntwv,ntwe,ntpp,ioutfm,ntwprt,ntave common/hulp/ntpr,ntwr,ntwx,ntwv,ntwe,ntpp,ioutfm,ntwprt,ntave ! NMRRDR : Contains information about input/output file redirection ! REDIR and IREDIR contain information regarding ! LISTIN, LISTOUT, READNMR, NOESY, SHIFTS, DUMPAVE, ! PCSHIFT and DIPOLE respectively. If IREDIR(I) > 0, ! then that input/output has been redirected. integer iredir(8) common/nmrrdr/redir,iredir