[gmx-users] Topologies for ffamber99 and ions for ffamber99

tanos at ime.eb.br tanos at ime.eb.br
Mon Sep 7 15:04:47 CEST 2009

   Dear gmx users,
   I am trying to perform MD simulations of a DNA dodecamer complexed  
with some ligands but I facing some problems to generate the ligands  
topologies and insert Na ions to neutralize the system ! I have built  
the first ligand.itp file by hand, what is very time consuming. So I  
wonder if someone know a software or server (like PRODRG) able to  
generate ligand topologies to the ffamber99 force field.
   Also, I am wondering how to include the ions topology in the  
GROMACS file ions.itp in order to make ffamber99 force field recognize  
the ion topology.
   With the best regards,
   Tanos C. C. Franca.
   Laboratory of Molecular Modeling Applyed to the Chemical and  
Biological Defense (LMMCB)

This message was sent using IMP, the Internet Messaging Program.

More information about the gromacs.org_gmx-users mailing list