********> bugfix.18 Author: Dave Case Date: 5/30/00 Programs: sander Description: The input combination of ntb=0 and igb=0 is illegal, but the error message in this case is very confusing. The patch below should help. Fix: Make the following change to src/sander/mdread.f ---------------------------------------------------------------------------- *** mdread.f.old Tue May 30 17:36:35 2000 --- mdread.f Tue May 30 17:37:41 2000 *************** *** 289,296 **** c If user has requested ewald electrostatics, read some more input c-------------------------------------------------------------------- c ! if( igb .eq. 0 ) call load_ewald_info(5,parm,inpcrd,ntx,r_stack, ! $ ipol) C NRCP = NTR ISHAKE = 0 --- 289,296 ---- c If user has requested ewald electrostatics, read some more input c-------------------------------------------------------------------- c ! if( igb.eq.0 .and. ntb.gt.0 ) ! $ call load_ewald_info(5,parm,inpcrd,ntx,r_stack,ipol) C NRCP = NTR ISHAKE = 0 *************** *** 1001,1007 **** inerr = 1 endif if (ntb.eq.0 .and. igb.eq.0 ) then ! write(6,'(/,a)') ' Ewald calculation must have ntb>0' inerr = 1 endif if (ntb.ne.0 .and. igb.gt.0 ) then --- 1001,1007 ---- inerr = 1 endif if (ntb.eq.0 .and. igb.eq.0 ) then ! write(6,'(/,a)') ' igb=0 is only compatible with ntb>0' inerr = 1 endif if (ntb.ne.0 .and. igb.gt.0 ) then ----------------------------------------------------------------------------