[gmx-developers] Adding a boolean mdp option

[Vedran Miletić]

2015-11-10 22:53 GMT+01:00 Mark Abraham <mark.j.abraham at gmail.com>:
> Hi,
>
> Also, there's existing .mdp options for user-supplied ints, reals and
> groups, so you only need to get involved with the mess when you decide your
> idea is working well.
>
> Mark
>
> On Tue, Nov 10, 2015 at 10:24 PM Kutzner, Carsten <ckutzne at gwdg.de> wrote:
>>
>> Hi,
>>
>> You also need to write the value of the variable to .tpr file. Look for
>> do_inputrec() in tpxio. cpp
>>
>> Carsten
>>

Mark, Carsten,

thanks for the very quick reply! I will check both variants.

Regards,
Vedran

-- 
Vedran Miletić
http://vedranmileti.ch/