Hi, Please use a more recent GROMACS version, unless you are actually a forensic archaeologist.
Mark On Wed, Aug 19, 2015 at 1:58 PM Padmani Sandhu <padmanisandh...@gmail.com> wrote: > Hello everyone, > > I am trying to install gmx-3.3.1 on ubuntu 14.04. I have compiled it using > following commands: > > ./configure > make > sudo make install > > *However the program was installed but while running grommp, it was > terminated with an error :* > > checking input for internal consistency... > calling cpp... > In file included from /usr/local/gromacs/share/top/ffoplsaa.itp:23:0, > from topol.top:11: > /usr/local/gromacs/share/top/ffoplsaabon.itp:2692:26: fatal error: > BH4_oplsaa.itp: No such file or directory > #include "BH4_oplsaa.itp" > ^ > compilation terminated. > cpp exit code: 256 > Tried to execute: 'cpp -I/usr/local/gromacs/share/top topol.top > > gromppVUW784' > The 'cpp' command is defined in the .mdp file > processing topology... > processing coordinates... > ------------------------------------------------------- > Program grompp, VERSION 3.3.1 > Source code file: grompp.c, line: 448 > > Fatal error: > number of coordinates in coordinate file (conf_solv.gro, 317253) > does not match topology (topol.top, 0) > > > *I had an error while running ./configure that might be causing this > problem* > > configure: creating ./config.status > config.status: creating Makefile > config.status: WARNING: Makefile.in seems to ignore the --datarootdir > setting > config.status: creating src/Makefile > config.status: WARNING: src/Makefile.in seems to ignore the --datarootdir > setting > > > Please suggest some solution. > > > Thanks > > > Padmani > -- > Gromacs Users mailing list > > * Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before > posting! > > * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > > * For (un)subscribe requests visit > https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or > send a mail to gmx-users-requ...@gromacs.org. > -- Gromacs Users mailing list * Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/GMX-Users_List before posting! * Can't post? Read http://www.gromacs.org/Support/Mailing_Lists * For (un)subscribe requests visit https://maillist.sys.kth.se/mailman/listinfo/gromacs.org_gmx-users or send a mail to gmx-users-requ...@gromacs.org.