[gmx-users] Running no periodic boundary condition simulation in GROMACS

Mark Abraham mark.j.abraham at gmail.com
Sun Oct 15 21:55:11 CEST 2017


See e.g. http://www.gromacs.org/Documentation/How-tos/Single-Point_Energy but
I think that as you have phrased it, your objective may not help find out
anything useful.


On Sun, Oct 15, 2017 at 12:32 PM sanjeet kumar singh ch16d012 <
ch16d012 at smail.iitm.ac.in> wrote:

> Dear all,
>           I want to run no pbc simulation for a single chain in GROMACS
> inorder to find out the forcefield applied potential energy of the chain.
> Can anyone please tell me how to do it?
> Thanks in advance
> --
> 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.

More information about the gromacs.org_gmx-users mailing list