[gmx-users] problem with ffamber94bon.itp
tomas.kubar at uochb.cas.cz
Fri Apr 28 15:53:16 CEST 2006
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
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...
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,
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