You may move
#ifdef POSRES_L
#include "/home/tripos/lipid/dopc/minidopc/POSRE_L.itp" in water
#endif
just under
#include "/home/tripos/lipid/ffgmx2_lipid.itp"
It still depends on the content of ffgmx2_lipid.itp and POSRE_L.itp.
Please read chapter 5 of the manual. With a bit knowledge of C macro,
you will understand the structure of topology file.
Yang Ye
Farid Sa'adedin wrote:
Dear Yang Ye,
Apologies for the late reply.
Here is my top file:
TOP FILE:
#include "/home/tripos/lipid/ffgmx2_lipid.itp"
#include "/home/tripos/lipid/DOPCHT.itp"
#include "/usr/local/share/gromacs/top/spc.itp"
[ system ]
; name
DOPC in water
#ifdef POSRES_L
#include "/home/tripos/lipid/dopc/minidopc/POSRE_L.itp" in water
#endif
[ molecules ]
; name number
DOPC 18
SOL 1463
In my mdp files I specified under preprocessing:
define = -DPOSRES_L
but I still obtain this message when I run grompp:
cpp exit code: 256
cpp: too many input files
[tripos]dopc/minidopc$ Tried to execute: '/lib/cpp -I
-I/usr/local/share/gromacs/top
-DPOSRES_L dopc.top > grompptByAm1'
Thank you for allowing me to send you the top.
Yours sincerely,
Farid
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