Bugs item #2960659, was opened at 2010-02-28 08:14 Message generated for change (Settings changed) made by hansonr You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=2960659&group_id=23629
Please note that this message will contain a full copy of the comment thread, including the initial issue submission, for this request, not just the latest update. Category: File Input/Output Group: v11 >Status: Closed Resolution: Fixed Priority: 2 Private: No Submitted By: Angel Herraez (aherraez) Assigned to: Nobody/Anonymous (nobody) Summary: Gromacs reader fails on one of the example data files Initial Comment: 11.9.31_dev Of the 3 sample files in http://jmol.svn.sourceforge.net/viewvc/jmol/trunk/Jmol-datafiles/gromacs/ the water.gro fails to load with 'unrecognized format' error It seems that it is due to its lack of the 2nd set of 3 values for each atom (after xyz coords, force vectors?) Attached water2.gro (a portion of water.gro with added values) works. ---------------------------------------------------------------------- Comment By: Bob Hanson (hansonr) Date: 2010-02-28 10:49 Message: OK, that's fixed. One reason we didn't catch this is that the gromacs directory was being skipped when the JUnit test for readers was run ---------------------------------------------------------------------- Comment By: Angel Herraez (aherraez) Date: 2010-02-28 08:34 Message: Maybe I wasn't clear. I think the reader should accept the file when it does not have the vector values. The attached test file was just a means to test where the problem is. ---------------------------------------------------------------------- You can respond by visiting: https://sourceforge.net/tracker/?func=detail&atid=379133&aid=2960659&group_id=23629 ------------------------------------------------------------------------------ Download Intel® Parallel Studio Eval Try the new software tools for yourself. Speed compiling, find bugs proactively, and fine-tune applications for parallel performance. See why Intel Parallel Studio got high marks during beta. http://p.sf.net/sfu/intel-sw-dev _______________________________________________ Jmol-developers mailing list [email protected] https://lists.sourceforge.net/lists/listinfo/jmol-developers
