Do you have atom types A, B, C, and D in your polymer somehow? If tleap is
complaining about something like this, it is referring to atom types, which
are not the same as atom names. I still need to work out your extra points
problem.
Dave
On Thu, Jan 9, 2020 at 12:18 AM 조준범 <j1300704.gmail.com> wrote:
> Hi all,
>
> I'm working on polymer - ionic liquid system.
>
> I'm trying to use modified parameter set through frcmod files.
> But when I use tleap, it says no torsion terms for A-B-C-D which doesn't
> exist within the polymer.
>
> How can I solve this problem?
>
> Any advice would be grateful.
> --
>
> *Junbeom Cho*
>
> Integrated Ph. D. Student
>
>
>
> Theoretical and Computational Soft Matters Laboratory
>
> School of Chemical and Biological Engineering
>
> Seoul National University
>
> 1, Gwanak-ro, Gwanak-gu, Seoul, 08826, Korea
>
>
>
> Tel: +82-2-880-1529
>
> E-mail: cjb0704.snu.ac.kr
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Received on Wed Jan 08 2020 - 22:00:02 PST
