[gmx-users] solvent implicit error

[cesteban at unsl.edu.ar]

Hi All
I am trying analyze the dynamics of polymer of GlcN residues using ffG53a6
force field. I included in toplogy file the follow  sentence:

;Include GB Parameters
[ implicit_genborn_params ]
#include "mypath/MYgbsa.itp"

 The MYgbsa.itp is :

; atype      sar      st     pi       gbr       hct
CH1          0.18     1      1.276    0.190     0.72 ; C
CH2          0.18     1      1.276    0.190     0.72 ; C
H            0.1      1      1        0.115     0.85 ; H
N            0.155    1      1.028    0.17063   0.79 ; N
OA           0.15     1      0.926    0.148     0.85 ; O

When I run grompp  I have this error:


-------------------------------------------------------
Program grompp, VERSION 4.5.3
Source code file: topio.c, line: 660

Fatal error:
Syntax error - File test.top, line 12325
Last line read:
'[ implicit_genborn_params ]'
Invalid order for directive implicit_genborn_params
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
Any help would be appreciated
Carmen