On Monday 04 September 2006 11:40, Florian Haberl wrote: > Hi, > > i got a strange behaviour of amberff implementation in gromacs > (http://folding.stanford.edu/ffamber/): > > cpp is not running without problems or warnings:
is in faq as e.sorin mailed me http://folding.stanford.edu/ffamber/FAQ.html#grompp > > 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/includ >e /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 ------------------------------------------------------------------------------- _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php