; ; File 'topol.top' was generated ; By user: onbekend (0) ; On host: onbekend ; At date: Thu Oct 20 14:15:11 2011 ; ; This is a standalone topology file ; ; It was generated using program: ; pdb2gmx - VERSION 4.5.5 ; ; Command line was: ; pdb2gmx -f membPOPCch27.pdb ; ; Force field was read from the standard Gromacs share directory. ; ; Include forcefield parameters #include "charmm27.ff/forcefield.itp" ; Include chain topologies #include "topol_Other_chain_L.itp" #include "topol_Other_chain_W.itp" #include "topol_Other_chain_L2.itp" #include "topol_Other_chain_W2.itp" #include "topol_Other_chain_L3.itp" #include "topol_Other_chain_W3.itp" #include "topol_Other_chain_L4.itp" #include "topol_Other_chain_W4.itp" ; Include water topology #include "charmm27.ff/tip3p.itp" #ifdef POSRES_WATER ; Position restraint for each water oxygen [ position_restraints ] ; i funct fcx fcy fcz 1 1 1000 1000 1000 #endif ; Include topology for ions #include "charmm27.ff/ions.itp" [ system ] ; Name Protein [ molecules ] ; Compound #mols Other_chain_L 1 Other_chain_W 1 Other_chain_L2 1 Other_chain_W2 1 Other_chain_L3 1 Other_chain_W3 1 Other_chain_L4 1 Other_chain_W4 1