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
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