http://lmgtfy.com/?q=There+is+a+dangling+bond+at+at+least+one+of+the+terminal+ends.+Fix+your+coordinate+file%2C+add+a+new+terminal+database+entry+(.tdb)%2C+or+select+the+proper+existing+terminal+entry .
On Thu, Apr 23, 2015 at 8:47 AM, Ayesha Fatima <ayeshafatima...@gmail.com> wrote: > Dear Justin, > I am learning to use the steered dynamics method implemented in > gromacs. somehow your website is not accessible today so i cannot > download the modified files of the fibrils for simulation. so i > started withe the original file 2BEG.pdb and if i dont select the N > and C termini modifications i get the error > ................... > There is a dangling bond at at least one of the terminal ends. Fix > your coordinate file, add a new terminal database entry (.tdb), or > select the proper existing terminal entry. > ................. > > Could you guide me through the issue? > Thank you > Regards > Ayesha Fatima > PhD candidate, UM, Malaysia > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.
