[gmx-users] c preprocessor

Valentin Gogonea v.gogonea at csuohio.edu
Wed May 22 21:43:55 CEST 2002

Dear Gromacs users,

I want to added a new atom type to ffgmxnb.itp and it will help me if I 
can use variables (with #define) for the vdW parameters instead of their 

In "ffgmxnb.itp" I have:

#define S3c6    0.99844E-02  ; c6  (vdW)
#define S3c12   0.13078E-04  ; c12 (vdW)

     S    32.06000       0.000       A   0.99844E-02   0.13078E-04
   S3    32.06000       0.000       A   S3c6          S3c12
    FE    55.84700       0.000       A   0.00000E+00   0.00000E+00

But I got and error. It sees that cpp doesn't make the substitution. Can 
anybody suggest me what I should do? The C preprocessor should parse 
the  "ffgmxnb.itp" file isn't it?

Thank you for your help.


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