Hi all,
I got a "double sids error" when using grompp. What does it mean in the first place ? Apparently, it has to do with Lincs making shake-blocks when using constraint = all-bonds. I am simulating two strands of RNA, defined in the same .top file as I want to add some distance restraint between the two strands. I add some dummy atoms on a strand, and the problem occurs when I define bonds (type 1) linking those dummy atoms to the second one (maybe the fact that it is the second strand is coincidental). The problem disappear when I define a bond type 6 instead, or when I use constraint=all-bonds. I may have done some mistakes in the definition of my topology, but I can't poin them because I don't understand what a double sids error is. Thanks for your help, Michael Bon
<<winmail.dat>>
_______________________________________________ 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
