Dear Justin, Because there is a movement on atoms that posres should act on them, and this condition doesn't occur when the flexible option is not used.
Sincerely, Iman On Wed, Feb 14, 2018 at 8:48 PM, Iman Ahmadabadi <imanahmadabad...@gmail.com > wrote: > Dear Mark, > > I forgot the D in -DPOSRES in the previous email. However I used the > "define = -DFLEXIBLE -DPOSRES" but it doesn't work and position restraint > was not applied on the atoms. Is there another way to solve the problem? > > Respectfully, > Iman > > On Wed, Feb 14, 2018 at 5:48 PM, Iman Ahmadabadi < > imanahmadabad...@gmail.com> wrote: > >> Dear Gromacs Users, >> >> If I wanna use some flexible bonds and also use position restraint on >> some other atoms, how should I do this? the error arises because 2 define = >> -DFLEXIBLE and -POSRES is not allowed in the .mdp files. >> >> Respectfully >> >> > -- 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.
