[gmx-developers] How to put two molecules inside the simulation box with a control on their DISTANCE and ANGLE

Armin Solemanifar armin.solemanifar at gmail.com
Wed Feb 14 04:45:56 CET 2018


Hi Mark,

Sorry about this. I have my email account registered for both of them and I
simply chose the wrong one this time. Thanks for reminding me :)

Cheers,
Armin

On Tue, Feb 13, 2018 at 4:38 PM, Mark Abraham <mark.j.abraham at gmail.com>
wrote:

> Hi,
>
> This list is for discussing issues pertaining to GROMACS development,
> rather than usage. Please ask again on the gmx-users mailing list.
>
> Mark
>
> On Tue, Feb 13, 2018 at 12:42 AM Armin Solemanifar <
> armin.solemanifar at gmail.com> wrote:
>
>> Dear Gromacs users,
>>
>> I'm trying to put two peptides inside the simulation box and have the
>> ability to rotate them to face each other in a particular way before
>> starting the simulation. I only know how to put them randomly in the
>> simulation box.
>>
>> My second question is how to put them in a certain distance from each
>> other in the beginning as well.
>>
>> Cheers,
>> Armin
>> --
>> Gromacs Developers mailing list
>>
>> * Please search the archive at http://www.gromacs.org/
>> Support/Mailing_Lists/GMX-developers_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-developers
>> or send a mail to gmx-developers-request at gromacs.org.
>
>
> --
> Gromacs Developers mailing list
>
> * Please search the archive at http://www.gromacs.org/
> Support/Mailing_Lists/GMX-developers_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-developers
> or send a mail to gmx-developers-request at gromacs.org.
>
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-developers/attachments/20180214/cb12e7fb/attachment.html>


More information about the gromacs.org_gmx-developers mailing list