[gmx-developers] Warning in grompp with AMBER03 FF included

Zhou Bo zhoubo81 at gmail.com
Tue Dec 18 20:15:02 CET 2007


Hi developers,
I met a problem when grompping with amber03 ff included. My gmx version is
the latest CVS version 3.3.3_pre1, and the AMBER ports are also the newly
released.

/home/zhoub/gromacs-3.3.3/share/gromacs/top/ffamber03bon.itp:539:22:
warning: IS
O C requires whitespace after the macro name
/home/zhoub/gromacs-3.3.3/share/gromacs/top/ffamber03bon.itp:541:22:
warning: IS
O C requires whitespace after the macro name
/home/zhoub/gromacs-3.3.3/share/gromacs/top/ffamber03bon.itp:542:22:
warning: IS
O C requires whitespace after the macro name
/home/zhoub/gromacs-3.3.3/share/gromacs/top/ffamber03bon.itp:545:21:
warning: IS
O C requires whitespace after the macro name
/home/zhoub/gromacs-3.3.3/share/gromacs/top/ffamber03bon.itp:556:19:
warning: IS
O C requires whitespace after the macro name

The line 539 in ffamber03bon.itp is 
#define proper_X_CT_N*_X   0.00000     0.00000     0.00000     0.00000
0.00000     0.00000
The column 22 is a an sterisk, and it seems that it can not be recognized by
this gmx version.




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