Author: Dave Case Date: 07/28/03 Programs: quasih Description: attempts to compute more than 3*natom/2 frequencies fail Fix: apply the following patch to amber7/src/nmode/quasih.f ------------------------------------------------------------------------------ *** quasih.f 2001/12/18 01:31:39 7.10 --- quasih.f 2003/07/28 21:41:43 *************** *** 223,230 **** c --- diagonalize the matrix: c ido = 0 ! nev = nmode ! ncv = 2*nev info = 0 iparam(1) = 1 iparam(3) = 300 --- 223,230 ---- c --- diagonalize the matrix: c ido = 0 ! nev = min( nmode, n ) ! ncv = min( 2*nev, n ) info = 0 iparam(1) = 1 iparam(3) = 300 ------------------------------------------------------------------------------ Temporary workarounds: none