[votca] Re: Segmentation fault (whilst using csg_fmatch)

I just read the same topology and trajectory into csg_map, using the same Votca, and same input files as before, and it works completely fine! I thought the same with the number of frames/grid size etc, since I always use to get the 'constrained_qrsolve_zero_column_in_matrix' error, but have

Re: [votca] Re: Segmentation fault (whilst using csg_fmatch)

> > If there is not enough sampling, the number of frames is to small or the > grid size is to fine, the csg_fmatch error will normally be": an error occurred: constrained_qrsolve_zero_column_in_matrix Maybe it is a Gromacs error? (But for using csg_fmatch, the Gromacs run should have been

Re: [votca] Re: Segmentation fault (whilst using csg_fmatch)

2016-09-13 11:51 GMT-06:00 Rom : > > Sure, I will try to install it and see if it gets rid of the error! > Which version of gromacs is best compatible with Votca/1.2.4? Im just > confused why it works for one system, but not for the current system I am > trying to run?

[votca] Re: Segmentation fault (whilst using csg_fmatch)

Sure, I will try to install it and see if it gets rid of the error! Which version of gromacs is best compatible with Votca/1.2.4? Im just confused why it works for one system, but not for the current system I am trying to run? -- You received this message because you are subscribed to the

Re: [votca] Re: Segmentation fault (whilst using csg_fmatch)

Hi Rom, could please give version 1.3.1 and the latest development version a try, too? Christoph 2016-09-13 7:13 GMT-06:00 Rom : > Thanks Christoph! > > I have attached the xml file that I used (it is a very large system, and I > tried many min/max/block values), and the