[gmx-users] problem with ffamber94bon.itp

Erik Lindahl lindahl at sbc.su.se
Fri Apr 28 17:32:58 CEST 2006

Hi Tom,

I'm not sure if it works, but if you are using gcc you could try  
setting this in your mdp file:

cpp = "cpp -traditional-cpp"

Or, -no-traditional-cpp - I never remember which flag is which...



On Apr 28, 2006, at 3:53 PM, Tomas Kubar wrote:

> hi
> the file ffamber94bon.itp defines the parameters as macros. some of  
> the macro names contain an asterisk character (*), e.g.
> #define proper_X_CT_N*_X   0.00000     0.00000     0.00000      
> 0.00000    0.00000     0.00000
> this makes the preprocessor issue a warning (no whitespace after  
> macro name) because a macro name is not allowed to contain this  
> character. it looks like this might lead to wrong macro expansion  
> in case this dihedral is contained in the molecule's topology.  
> right now, I don't have an idea how to fix this...
> tom
> Adriana Pietropaolo wrote:
>> Dear gmx users,
>> I have some problems to use amber force field.
>> When I try to use grompp with a topology created with ffamber* (I  
>> download each files from the gromacs home page) there are these  
>> errors:
>> missing terminating ' character
>> ffamber94bon.itp:384:116: missing terminating ' character
>> ffamber94bon.itp:385:116: missing terminating ' character
>> ffamber94bon.itp:391:116: missing terminating ' character
>> ffamber94bon.itp:423:23: warning: ISO C requires whitespace after  
>> the macro nameffamber94bon.itp:425:23: warning: ISO C requires  
>> whitespace after the macro nameffamber94bon.itp:426:23: warning:  
>> ISO C requires whitespace after the macro nameffamber94bon.itp: 
>> 429:22: warning: ISO C requires whitespace after the macro  
>> nameffamber94bon.itp:438:20: warning: ISO C requires whitespace  
>> after the macro namecpp exit code: 256
>> I found in the web some similar posts but I did not find any reply.
>> Would you suggest me some advice?
>> Thank you for your kind attention,
>> cheers,
>> Adriana
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