********>Bugfix 18: Author: Dave Case Date: Apr 23, 2009 Programs: sander Description: Sander's GB code does not allow for extra points; trap this combination on input Use this patch to update amber10/src/sander/mdread.f ------------------------------------------------------------------------------ *** mdread.f 2009-04-23 11:20:23.000000000 -0400 --- mdread.f 2009-04-23 11:21:14.000000000 -0400 *************** *** 1659,1664 **** --- 1659,1668 ---- inerr = 1 #endif end if + if( igb > 0 .and. numextra > 0) then + write(6,'(a)') 'Cannot use igb>0 with extra-point force fields' + inerr = 1 + end if if (ips < 0 .or. ips > 3) then write(6,'(/2x,a,i3,a)') 'IPS (',ips,') must be 0,1,2, or 3' inerr = 1 ------------------------------------------------------------------------------ Temporary Workarounds: None