[gmx-users] Colchicine topology

[Mark Abraham]

Hi,

I found a couple of papers doing MD on colchicine and tubulin in a few
minutes on Google - maybe you should start there and also check your work
will be novel :-)

Mark

On Sat, May 26, 2018 at 8:00 AM Harutyun Sahakyan <sahakyanhk at gmail.com>
wrote:

> Hi all,
>
>
>
> I use gromacs for MD simulations, but use charmm or amber force fields, did
> someone try to generate the colchicine topology? I try to do it using
> CGenFF, but get to high penalty score due to dihedrals. And which force
> field is better for protein-ligand simulation (tubulin-colchicine)?
>
>
>
> Thank you in advance,
>
> Harut
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