; ; File 'topol.top' was generated ; By user: Administrator (500) ; On host: fabian-3bef2d6a ; At date: Fri April 1st 02:59 PM 2011 ; ; This is your topology file ; ETHANOL ; ; Include forcefield parameters #include "ffcharmm27.itp" #include "ethanol.itp" ; Include Position restraint file #ifdef POSRES #include "posre.itp" #endif ; Include water topology ;#include "spce.itp" ;#ifdef POSRES_WATER ; Position restraint for each water oxygen ;[ position_restraints ] ; i funct fcx fcy fcz ; 1 1 1000 1000 1000 ;#endif ; Include generic topology for ions ;#include "ions.itp" [ system ] ; Name ETHANOL [ molecules ] ; Compound #mols ETH 1