OK, I`ve switched from version 3.3.3 to 4.0 and now I do not have a segmentation fault when setting -vsite aromatics with OPLSAA.
Instead when I build trp and execute mdrun it trews the following error: ------------------------------------------------------------------------ Program mdrun, VERSION 4.0 Source code file: vsite.c, line: 1504 Fatal error: Virtual site atom 133 is part of a charge group of only virtual sites, but its first constructing atom (139) is part of a different charge group, this combination is not allowed ------------------------------------------------------------------------ Any suggestions on how to make it work? Thank you. _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
