[gmx-users] I: How to rolled up a polymer chain

[Mohd Farid Ismail]

Can I ask you something.  What do you mean by "rolled up"?  Do you mean create the tangled conformation of polymer chains?

--Farid

22.09.2014, 20:46, "marcello cammarata" <mstaxmarcello at yahoo.it>:
> Hi,
>  i had checked all the archives, i have read about 100posts in the last 2 month.
> Nobody have problem similar to mine.
> Problem for me are Two.
> 1- instead i am a doctor, i am not able to find the right advice at your site.
> 2- In your site there is no space for begginer user.
>
> The main pages where i checked are:
> Residue
> Chain
> Polyethylene (PE) simulations in Gromacs - please!
> .rtp File
> Force Fields
> Adding a Residue to a Force Field
> Modifying a force field
>
> But i don't have find any suggestion for my problem.
> Is there an other blog, that i can't see.
> i have several of problem with Gromacs,
> - in Cygwin it doen't work, i got a "bash" comand
> - the topology need a lig parameters.
>
> one more time, below there is my post. I wpould like if you can help me to solve this question, instead i can try to use an othere MD software.
>
> MARCELLO CAMMARATA
> Ing., Ph.D.,
>
>  3208790796
>
> Il Lunedì 22 Settembre 2014 14:20, marcello cammarata <mstaxmarcello at yahoo.it> ha scritto:
>
> My goal, for now, is to model a polimer (nylon-6) chain, and to find the equilibrium position of the chain considering the capacity to be rolled up itself.
> I had create a pdb file using Avogadro software, but when i go to gromacs to input the
>  data using the function pdb2gmx And indipendently of the force field that i
>                           choose i get :that "Residue LIG not found".
>
> How to solve this?
> thanks
>
> MARCELLO CAMMARATA
> Ing., Ph.D.,
>
> 3208790796
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_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-users or send a mail to gmx-users-request at gromacs.org.
> --
> Gromacs Users mailing list
>
> * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_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-users or send a mail to gmx-users-request at gromacs.org.

--
Mohd Farid Ismail
mohd.farid.ismail at yandex.com