[gmx-users] Flexible and posres
mark.j.abraham at gmail.com
Wed Feb 14 15:21:48 CET 2018
Please copy and paste your attempts and the errors, if you want to get
effectively help. You can use
define = -DPOSRES -DFLEXIBLE
to combine them, and -POSRES is always wrong.
On Wed, Feb 14, 2018 at 3:19 PM Iman Ahmadabadi <imanahmadabadi75 at gmail.com>
> 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.
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