Re: [gmx-users] regarding simulation of peptide and protein complex

2011-07-14 Thread Javier Cerezo
Hi Rashi To me, it seems more reasonable to use "pdb2gmx" for every molecule that is supported by this utility (i.e. included in a rtp file) as it will be more likely to be FF-compliant (at least for the default rtp files) and thus compatible with your protein. PROD

[gmx-users] regarding simulation of peptide and protein complex

2011-07-13 Thread rashi parihar
Hello everyone.. I have 2 do the simulation of protein and peptide complex.I want to ask as for protein and ligand complex we have 2 create topology of ligand using prodrg sever mostly.Now if ligand is peptide then I have 2 build the topology of peptide using pdb2gx or anyother means?Looking forw