[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
values.
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.
Valentin
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