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.
