[gmx-users] Building Topology of a Drug (using the ff of your choice)

[Mitchell J Stanton-Cook]

Hi,

   You could use PRODRG to build an initial topology and then use the FF
definition in you gromacs distribution to edit to suit.

On the PRODRG website, there is a link to the top right had of the page
if memory serves me correctly to a beta server that will generate
topology files consistent with the 43a1 FF.


Cheers Mitch



On Thu, 2007-02-15 at 17:48 -0800, Arneh Babakhani wrote:
> Hi , I'd like to build a topology of a Drug.  I'm aware of the PRODRG 
> website. 
> 
> But if my understanding is correct, on this website, you can only build 
> using one forcefield (GROMOS87). 
> 
> How does one build a topology using a different force field (say for 
> instance, oplsaa)?  Is there a simple way to do it,
> 
> Thanks,
> 
> Arneh
> 
> 
> _______________________________________________
> gmx-users mailing list    gmx-users at gromacs.org
> http://www.gromacs.org/mailman/listinfo/gmx-users
> 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