Hi everyone! I want to add the distance restraint for some atom pairs. However, it is not working at all. The yielded bond length can easily go beyond 0.5~0.6 nm. Has anyone got a hint? Thanks very much!
[ distance_restraints] ; ai aj type index type' low up1 up2 fac 15 79 1 0 1 0.00 0.40 0.42 1000000 15 77 1 0 1 0.00 0.40 0.42 1000000 21 47 1 1 1 0.00 0.40 0.42 1000000 21 46 1 1 1 0.00 0.40 0.42 1000000 27 5 1 2 1 0.00 0.40 0.42 1000000 27 45 1 2 1 0.00 0.40 0.42 1000000 33 78 1 3 1 0.00 0.40 0.42 1000000 33 82 1 3 1 0.00 0.40 0.42 1000000 51 114 1 4 1 0.00 0.40 0.42 1000000 51 111 1 4 1 0.00 0.40 0.42 1000000 57 47 1 5 1 0.00 0.40 0.42 1000000 57 43 1 5 1 0.00 0.40 0.42 1000000 63 9 1 6 1 0.00 0.40 0.42 1000000 63 5 1 6 1 0.00 0.40 0.42 1000000 69 117 1 7 1 0.00 0.40 0.42 1000000 Best regards, Linlin Sun -- gmx-users mailing list gmx-users@gromacs.org http://lists.gromacs.org/mailman/listinfo/gmx-users * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! * Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
