[gmx-users] amber ff and cpp error message

[Florian Haberl]

Hi,

i got a strange behaviour of amberff implementation in gromacs 
(http://folding.stanford.edu/ffamber/):

cpp is not running without problems or warnings:

checking input for internal consistency...
calling /lib/cpp...
In file included 
from /raid1/haberl/bin/gmx/amb_gmx/share/gromacs/top/ffamber03.itp:19,
                 from topol.top:11:
/raid1/haberl/bin/gmx/amb_gmx/share/gromacs/top/ffamber03bon.itp:538:22: 
warning: missing whitespace after the macro name
/raid1/haberl/bin/gmx/amb_gmx/share/gromacs/top/ffamber03bon.itp:540:22: 
warning: missing whitespace after the macro name
/raid1/haberl/bin/gmx/amb_gmx/share/gromacs/top/ffamber03bon.itp:541:22: 
warning: missing whitespace after the macro name
/raid1/haberl/bin/gmx/amb_gmx/share/gromacs/top/ffamber03bon.itp:544:21: 
warning: missing whitespace after the macro name
/raid1/haberl/bin/gmx/amb_gmx/share/gromacs/top/ffamber03bon.itp:555:19: 
warning: missing whitespace after the macro name
processing topology...

This are the lines from the error or warning message, i would say "*, ' " 
produces them.

; missing nucleic torsions
#define proper_X_CT_N*_X  0.00000     0.00000     0.00000     0.00000     
0.00000     0.00000
#define proper_X_CM_CT_X   0.00000     0.00000     0.00000     0.00000     
0.00000     0.00000
#define proper_X_CK_N*_X  14.22560     0.00000   -14.22560     0.00000     
0.00000     0.00000
#define proper_X_CB_N*_X  13.80720     0.00000   -13.80720     0.00000     
0.00000     0.00000
#define proper_X_CA_NC_X  40.16640     0.00000   -40.16640     0.00000     
0.00000     0.00000
#define proper_X_CQ_NC_X  56.90240     0.00000   -56.90240     0.00000     
0.00000     0.00000

is this a normal behaviour?

OS is suse 10.1 running on x86_64

cpp -v
Using built-in specs.
Target: x86_64-suse-linux
Configured with: ../configure --enable-threads=posix --prefix=/usr 
--with-local-prefix=/usr/local --infodir=/usr/share/info 
--mandir=/usr/share/man --libdir=/usr/lib64 --libexecdir=/usr/lib64 
--enable-languages=c,c++,objc,fortran,java,ada --enable-checking=release 
--with-gxx-include-dir=/usr/include/c++/4.1.0 --enable-ssp --disable-libssp 
--enable-java-awt=gtk --enable-gtk-cairo --disable-libjava-multilib 
--with-slibdir=/lib64 --with-system-zlib --enable-shared 
--enable-__cxa_atexit --enable-libstdcxx-allocator=new 
--without-system-libunwind --with-cpu=generic --host=x86_64-suse-linux
Thread model: posix
gcc version 4.1.0 (SUSE Linux)
 /usr/lib64/gcc/x86_64-suse-linux/4.1.0/cc1 -E -quiet -v - -mtune=generic
#include "..." search starts here:
#include <...> search starts here:
 /usr/local/include
 /usr/lib64/gcc/x86_64-suse-linux/4.1.0/include
 /usr/lib64/gcc/x86_64-suse-linux/4.1.0/../../../../x86_64-suse-linux/include
 /usr/include
End of search list

Greetings,

Florian

-- 
-------------------------------------------------------------------------------
 Florian Haberl                        
 Computer-Chemie-Centrum   
 Universitaet Erlangen/ Nuernberg
 Naegelsbachstr 25
 D-91052 Erlangen
 Telephone:  	+49(0) − 9131 − 85 26581
 Mailto: florian.haberl AT chemie.uni-erlangen.de
-------------------------------------------------------------------------------