[gmx-users] (no subject)

Vidyalakshmi CM vidyalakshmi.cm at gmail.com
Sun Jun 28 21:23:28 CEST 2015


*not topologies - mdp files

On Sun, Jun 28, 2015 at 8:22 PM, Vidyalakshmi CM <vidyalakshmi.cm at gmail.com>
wrote:

> Hi,
>
> You may use the mdp files from the tutorial
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/gmx-tutorials/lysozyme/
> (It has topologies for energy minimzation, nvt and npt simulations and md
> simulations run).
>
> Regards,
> C.M.Vidyalakshmi
>
> On Sun, Jun 28, 2015 at 8:19 PM, masoud aliyar <masoud.aliyar at gmail.com>
> wrote:
>
>> Hello dear friends
>>
>> I want to simulate a Ligand-Protein complex in GROMACS by using amber
>> forcefield
>> <
>> https://www.google.com/search?q=forcefield&newwindow=1&sa=X&biw=1366&bih=657&tbm=isch&tbo=u&source=univ&ei=WEaQVYH_AoWdsgH06q6ICg&ved=0CE4QsAQ
>> >
>> and need essential MDP files. Can anyone provide me that files?
>> --
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