Well, seems easy, I got a molecule with gromos parameters but the ATB site state the use of new force field, this new forcefield defined new atom label like CPos, when i started to fill with ions to neutralie charge i got the message
CPos not found
i wonder why?
i follow the instructions as the README file state, but the problem persist, the comand applie were:
gmx grompp -f mdp/ions.mdp -c gfdo_solv.gro -p topol.top -o ions.tpr
the topol.top has the right files:
#include "./gromos54a7.ff/forcefield.itp"
#include "./gromos54a7.ff/ffnonbonded.itp"
#include "./gromos54a7.ff/spc.itp"
#include "./gromos54a7.ff/ions.itp"
#include "gfdo.itp"
[ system ]
Fullereno+IYT in water
[ Molecules ]
GFDO 1
SOL 1186
****************************
so what do i miss?
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