I'm having a problem here... Sometimes, only sometimes, my structure refinement with RDC stops in the first step of dynamics with no error message. The input file that I'm using is basically the same as the one in example directory, except that mine uses internal dynamics instead of verlet.
original: $XPLOR/eginput/mef_dna/sa_mef_dipo.inp When this happens, I move the coordinates of ANIS "residue" and this usually works. My questions are, Why does the calculation stop? Why does moving ANIS helps? and Are they any preferred place to put ANIS? Any thoughts? Jiro
