[gmx-users] rtp topology file for ligand

amna khan amnakhan369 at gmail.com
Tue Feb 19 10:23:41 CET 2013

hi all,

 i generated the .itp file for my ligand using ATB,
and i have generated the protein topology file by using the forcefield 13

my question is i need to generate the *ligand .top and .gro files*

and when i use the command

*pdb2gmx -f  lig.pdb -o igand.gro -i lig.itp -p iig.top

*the error arises that
Fatal error:
Residue 'LIG' not found in residue topology database

what should i do ?

how to create the rtp file for my ligand ... i have read the tutorail but i
am not getting it what steps* exactly should i do please please help me and
guide me in making the .rtp file for my ligand

amna khan

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