Small one for us to find the problem.
On 9/11/17, Neha Gandhi <n.gandhiau.gmail.com> wrote:
> Dear List,
>
> I have prepared frcmod file for carbon nanotube based on Hummer et al (
> *Nature* *414*, 188-190 (8 November 2001). The CNT pdb file consists of >
> 999 atoms (120 A long) and when I load it in tleap, tleap will not
> recognise atoms beyond 999 and will try adding atoms again.
>
> I also tried using a single unit cell of carbon ring but then I faced
> issues combining different unit cells together with a carbon-carbon bond.
>
> Is there a way to work around this file?
>
> Many thanks,
> Neha
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Received on Sun Sep 10 2017 - 19:00:03 PDT
