[gmx-users] Alternative TRP residue

[Lucio Ricardo Montero Valenzuela]

The acpypi program can calculate the topology files for your molecule. I
have done it for non-polymeric molecules, but I don't know if there have
to be extra work in polymeric molecules like amino acids.
El jue, 11-06-2009 a las 17:09 +0200, abelius escribió:
> Dear All,
> 
> I have AmberFF parameters for a TRP excited state and I was wondering if 
> it was possible to create an alternative TRP residue for gromacs?
> Things I've done so far:
> * Download and install amber99 for gromacs
> * Add a new residue [ ETRP ] with adapted charges to the amber99.rtp file
> * Add ETRP to aminoacids.dat
> 
> My question is where do I go from here, how can I add distances (bond 
> lengths) and angles?
> 
> Thank you very much,
> Abel
> 
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://lists.gromacs.org/mailman/listinfo/gmx-users
> Please search the archive at http://www.gromacs.org/search before posting!
> Please don't post (un)subscribe requests to the list. Use the 
> www interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php