[gmx-users] Sanjay (REG: GROMMP ERROR IN MEMBRANE SIMULATION)

sanjay choubey sanjay_chby at yahoo.com
Wed May 13 18:39:39 CEST 2015


Hi,  I am running membrane simulation. While running grompp command i am getting the error: 
Fatal error:Atomtype LC3 not found
Here are my #include files in topol.top
; Include Position restraint file#ifdef POSRES#include "posre.itp"#endif;Include DPPC chain topology#include "dppc.itp"#include "gromos53a6_lipid.ff/forcefield.itp";Include water topology#include "gromos53a6.ff/spc.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 "gromos53a6.ff/ions.itp"                                                  KIndly anyone suggest how to overcome this error.                                                                                    With regards.


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