[gmx-users] Problems with the force field
terrencesun at gmail.com
Fri Sep 12 05:46:40 CEST 2014
I've never simulated polyacetylene. But the common approach starts with
literature research. See what force field others used.
On Fri, Sep 12, 2014 at 9:11 AM, <jvissoto at fisica.ufpr.br> wrote:
> My name is Jeniffer and i'm having some trouble to find the correct force
> field to put in my MD simulation using GROMACS. I'm working with a
> molecule of polyacetylene "trans" in vacuum and i would appreciate if you
> could indicate me the correct force field for this molecule.
> Thanks for all
> Best regards
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