[gmx-users] proper force fields for fullerene

[serdar durdagi]

Dear all,
   
  I am trying to make MD simulation of fullerene derivatives with HIV protease..When I try to convert merged pdb file of protein+ligand to gmx file, using forcefields like G43a1 it gave error message as residue 'lig' not found in residue topology database. 
   
  Is anybody knows which parameters in ff should I change?
   
   
  Kind Regards,
   
  Serdar

       
---------------------------------
Jetzt Mails schnell in einem Vorschaufenster überfliegen. Dies und viel mehr bietet das  neue Yahoo! Mail. 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20070830/bdebea7a/attachment.html>