[gmx-users] Flexible and posres

[Iman Ahmadabadi]

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 <imanahmadabadi75 at 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 <
> imanahmadabadi75 at 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
>>
>>
>