[gmx-users] starting a simulation of a peptide lipid bilayer

nur avneet nuravneet at yahoo.co.in
Wed Apr 25 12:42:13 CEST 2007


Dear All
  I got the lipid topology files from http://moose.bio.ucalgary.ca/.
  and it also gives the lipid.itp file.
  When i include both the lipid and my required dppc.itp file in the topology file...it gives an error saying;"Invalid order for directive atomtypes, file "lipid.itp", line 9...what is wrong??
   
  The dppc.itp file has atomnames that dont correspond to ffg43a1 ...so is it possible that we make the itp file through prodrg2 server and then proceed..
   
  regards
  nur
   

       
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