[gmx-users] topology parameters

[Maryam Kowsar]

Thanks Vitaly!

On Sun, Sep 6, 2015 at 3:29 PM, Vitaly V. Chaban <vvchaban at gmail.com> wrote:

> Bonded interactions are important. Sections are for human understanding.
>
>
>
>
> On Sun, Sep 6, 2015 at 3:36 AM, mah maz <mahmaz71 at gmail.com> wrote:
> > Dear users,
> >
> > Are resnr, residue, moleculetype, system and molecules names in .top file
> > important? I have a CNT containing water molecules. I can see weather I
> > assign CNT to all the molecules as residue names Or CNT and water,
> results
> > are the same. Also if I use 1 for CNT as resdnr and 2 for water Or 1 for
> > all of them I get the same results! Are they only names or something else
> > eg. type is important in this case?
> >
> > Thanks!
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