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.
