From: Armen Poghosyan (Armen.Poghosyan_at_edam.uhp-nancy.fr)
Date: Mon May 31 2004 - 02:34:06 CDT
Hi All,
I want to use Gromacs force filed in NAMD for DPPC bilayer
simulation. I did following: put conf.gro and topol.top files in working
directory and add them in NAMD .conf file. The topol.top file includes
all the necessary itp files (dppc.itp, lipid.itp, ffgmx.itp, etc). The
needed files are in working directory. However I couldnt perform!!!!
The errors are: DPPC undefined or "Required bondtype NL--CH2
(function 1) not found" and lot of error something like above mentioned.
Maybe I have to put all gromacs files in working directory??
Thanks!
Armen
--topol.top file----------------
#include "ffgmx.itp"
#include "lipid.itp"
#include "dppc.itp"
; Include water topology
#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
[ system ]
; Name
DPPC bilayer
[ molecules ]
; Compound #mols
DPPC 128
SOL 3702
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