Shalom Pragya,
I wonder if the 'grompp' program finished properly after it gives you
this message? If not, please send the command you used and the output
you got from it.
Best,
Itamar
pragya chohan wrote:
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 ]
; Name
Pure DPPC bilayer with 128 lipids and 3655 water molecules
[ molecules ]
; Compound #mols
POPC 128
SOL 2460
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--
"Prediction is very difficult, especially about the future" - Niels Bohr
===========================================
| Itamar Kass, Ph.D.
| Postdoctoral Research Fellow
|
| Molecular Dynamics Group
| School of Molecular and Microbial Sciences (SMMS)
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