Hi all Executing the following command to install Votca sudo ./build.sh -DEXTERNAL_BOOST=OFF -DWITH_SQLITE3=OFF -DTXT2TAGS_EXECUTABLE="" gromacs tools csg
installation is pretty perfect , but a problem with gromacs arise when try to use csg_map. seems that download and installation from gromacs site brings 4.5.5 version and votca is compiled to 4.5.3. As this way to install gromacs is easy and soft than usual, someone could give a tip how to compile 4.5.3 through votca ? I source .bash files as usual. Best regards Marc csg_map --top topol.tpr --trj confout.gro --cg hexane.xml --out conf_cg.gro WARNING: VOTCA was compiled using a different Gromacs library version compiled: VERSION 4.5.3 (single precision) loaded:VERSION 4.5.5 (single precision) Try to source another GMXRC or be prepared for unexpectred behaviour. Reading file topol.tpr, VERSION 4.5.5 (single precision) I have 20000 beads in 1000 molecules I have 3000 beads in 1000 molecules for the coarsegraining WARNING: VOTCA was compiled using a different Gromacs library version compiled: VERSION 4.5.3 (single precision) loaded:VERSION 4.5.5 (single precision) Try to source another GMXRC or be prepared for unexpectred behaviour. ------------------------------------------------------- Program VOTCA, VERSION 4.5.5 Source code file: /home/marc/votca/src/gromacs/src/gmxlib/futil.c, line: 491 File input/output error: confout.gro For more information and tips for troubleshooting, please check the GROMACS website at http://www.gromacs.org/Documentation/Errors -- You received this message because you are subscribed to the Google Groups "votca" group. To post to this group, send email to [email protected]. To unsubscribe from this group, send email to [email protected]. For more options, visit this group at http://groups.google.com/group/votca?hl=en.
