[gmx-users] simulation popc

pragya chohan pragyachohan at hotmail.com
Sun Oct 7 19:53:41 CEST 2007


hi i m pragya, i found this article .... i used ffG43a1 and got this error when ran grompp:
Atomtype 'CA' not found! . i m using popc128a.pdb from tieleman site and m using "lipid.itp"
 
#include "ffG43a1.itp"#include "lipid.itp"#include "popc.itp"
#ifdef FLEX_SPC#include "flexspc.itp"#else#include "spc.itp"#endif
#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 ]; NamePure DPPC bilayer with 128 lipids and 3655 water molecules
[ molecules ]; Compound        #molsPOPC              128SOL               2460


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