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

[Florian Haberl]

Hi,


On Tuesday, 18. December 2007 20:15, Zhou Bo wrote:
> 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.

read the following link:

http://www.stanford.edu/group/pandegroup/folding/ffamber/FAQ.html#grompp


>
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Greetings,

Florian

-- 
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 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Telephone:  	+49(0) − 9131 − 85 26573
 Mailto: florian.haberl AT chemie.uni-erlangen.de
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