[gmx-users] Colchicine topology

Alex nedomacho at gmail.com
Mon May 28 09:17:15 CEST 2018


Mark, please don't be one of those people telling young researchers that 
everything has already been done. :)

My postdoc (a fellow, actually -- with her own project & funding) is 
reading all these horrible papers and, according to her, everything has 
been done. Drives me nuts!

Alex


On 5/28/2018 1:11 AM, Mark Abraham wrote:
> 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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