[gmx-users] Multiprotein lipid bilayer

ram bio rmbio861 at gmail.com
Thu Mar 4 16:48:13 CET 2010


HI Justin,

Thanks for the info.

I have followed your tutorial earlier, it really works, and that was
for 1 protein, but if 2 or more different kinds of proteins are to be
inserted then how to generate the a single topology file for all the
proteins using pdb2gmx and also can you please let me know the other
ways to insert the proteins in lipid bilayers....


Ram

On Thu, Mar 4, 2010 at 4:36 PM, Justin A. Lemkul <jalemkul at vt.edu> wrote:
>
>
> ram bio wrote:
>>
>> Dear Gromacs Users,
>>
>> I would like to run molecular dynamics by inserting multiple proteins
>> in the same lipid bilayer using gromacs, is it possible? if so, please
>
> Just about anything is possible :)
>
>> let me know if any tutorial is available or any kind of help is
>> available....
>>
>
> There is a tutorial for a basic membrane protein system linked from the
> Gromacs tutorials page.  As for inserting multiple proteins in the membrane,
> there are several ways to do it, but if you want to use InflateGRO, you'll
> need the latest version:
>
> http://www.csb.bit.uni-bonn.de/inflategro.html
>
> -Justin
>
>>
>> Thanks in advance,
>>
>> Ram
>
> --
> ========================================
>
> Justin A. Lemkul
> Ph.D. Candidate
> ICTAS Doctoral Scholar
> MILES-IGERT Trainee
> Department of Biochemistry
> Virginia Tech
> Blacksburg, VA
> jalemkul[at]vt.edu | (540) 231-9080
> http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
>
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