[gmx-users] topology parameters

[Vitaly V. Chaban]

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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