[gmx-users] Flexible and posres

[Iman Ahmadabadi]

Dear Justin and Mark,

The define = -DPOSRES -DFLEXIBLE is correct and thank you so much for your
help.

Respectfully,
Iman

On Wed, Feb 14, 2018 at 11:17 PM, Iman Ahmadabadi <
imanahmadabadi75 at gmail.com> wrote:

> 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
>>>
>>>
>>
>