[gmx-users] Defaults in lipid.itp - please help!

[Semen Esilevsky]

The problem is that the system is extremely simple.
Here is the main topology file f2n8.top:

---------------------------
; molecules
#include "ffgmx.itp"
;include "lipid.itp"
#include "f2n8.itp"

#ifdef FLEX_SPC
#include "flexspc.itp"
#else
#include "spc.itp"
#endif

[ system ]
; name
Simple test

[ molecules ]
; name	number
DRG    1

-------------
And here is the topology of our molecule f2n8.itp:

;================================================
;TOPOLOGY OF f2n8 PROBE
 [ moleculetype ]
 ;name nrexcl
DRG      3
 [ atoms ]
 ;  nr  type resnr resid  atom  cgnr charge
;The tail with optimized lipid parameters (Berger)
     1   LP3     1 DRG     CBG     1    0.014
     2   LP2     1 DRG     CBF     1    0.005
     3   LP2     1 DRG     CBE     2    0.003
     4   LP2     1 DRG     CBD     2    0.001
     5   LP2     1 DRG     CBC     2    0.001
...And so on.

So, there are no places of additional includes. The
lipid atom types started with L are not recognized and
this is not surprising, because there are no these
atomtypes in ffgmx.atp!
I'm absolutely confused...



		
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