no idea really - looks like a bug.. There is a limit on the Radius of gyration whch i thinks is < 0 .5 * shortest_cell_edge..
Probably it is chosen as 27.85, then re-adjusted to allow for anisptropy, and not properly trapped. You could try setting it yourself - there is a keyword - or ignore the "aniso correction" option eleanor On 26 May 2017 at 00:28, Dyda <[email protected]> wrote: > Dear All, > > Does anyone know by any chance what to do when Molrep crashes with: > > Radius of gyration : 27.85 > WARNING: Radius of integration > 42.40 > Radius of integration : 42.40 > Resolution : 29.82 4.00 > --- rfcoef for model --- > --- rfcoef for Fobs --- > NCS (from Self rotation Function): 1 > ERROR: in RFROT: RF overflow > ERR: in CALC_SRF > > This is with "anisothermal correction of Fobs" whatever that means. > > It runs fine with "default scaling". > > Data are very anisotropic, so "anisothermal correction of Fobs" sounded > attractive. > > Thanks. > > Fred > [32m******************************************************** > *********************** > Fred Dyda, Ph.D. Phone:301-402-4496 > Laboratory of Molecular Biology Fax: 301-496-0201 > DHHS/NIH/NIDDK e-mail:[email protected] > Bldg. 5. Room 303 > Bethesda, MD 20892-0560 URGENT message e-mail: [email protected] > Google maps coords: 39.000597, -77.102102 > http://www2.niddk.nih.gov/NIDDKLabs/IntramuralFaculty/DydaFred > ******************************************************************************* > [m >
