[gmx-users] Merging topologies of Non-peptidic molecules with proteins

[Ruben Martinez Buey]

Hi Sergio,

I suggest you to look at davapc1.bioch.dundee.ac.uk/programs/prodrg/gmx.pdf
You can find there an excellent GROMACS Tutorial for Drug-Enzyme Complex
written by John E. Kerrigan
Hope this help,
cheers,
Ruben


Sergio Manzetti wrote:

> Dear GMX users...after generating a topology of NADPH from the PRODREG
> server, I wish to make the topology of the Portein-NADPH complex. The
> problem is that I don't know where to insert the topology of the NADPH in
> the protein topology...is it independent of where I insert it?
>
> Sergio
>
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--
___________________________________________

Rubén Martínez-Buey. PhD student
Protein Function and Structure Dept. Lab. 352
Centro de Investigaciones Biológicas (CIB-CSIC)
C/ Velázquez, 144  28006  MADRID
Tlf: +34-91-561 18 00 ext. 4380
___________________________________________


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