[gmx-users] problem with ffamber94bon.itp
lindahl at sbc.su.se
Fri Apr 28 17:32:58 CEST 2006
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:
> 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...
> 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
>> 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,
> gmx-users mailing list gmx-users at gromacs.org
> Please don't post (un)subscribe requests to the list. Use the www
> interface or send it to gmx-users-request at gromacs.org.
> Can't post? Read http://www.gromacs.org/mailing_lists/users.php
More information about the gromacs.org_gmx-users