Dear Gromacs users, I am a new user of gromacs. I was trying the Enzyme- Drug complex tutorial for a test run and i have ended up with following error. Please try to help me
creating statusfile for 1 node... Back Off! I just backed up mdout.mdp to ./#mdout.mdp.90# checking input for internal consistency... calling /usr/bin/cpp... TEST1/trp.top:12:9: error: #include expects "FILENAME" or <FILENAME> cpp exit code: 256 Tried to execute: '/usr/bin/cpp -I/usr/local/gromacs/share/top -DFLEXIBLE TEST1/trp.top > gromppVEFM2b' The '/usr/bin/cpp' command is defined in the .mdp file processing topology... Generated 1284 of the 1485 non-bonded parameter combinations Excluding 3 bonded neighbours for Protein_A 1 Cleaning up temporary file gromppVEFM2b Fatal error: No such moleculetype IN4 Can you please tell me what could be the reason for this? Please help me. Thanks in advance, Aswathy Amrita School of Biotechnology Dept. Biotechnology Ext. 3108 _______________________________________________ gmx-users mailing list gmx-users@gromacs.org http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to gmx-users-requ...@gromacs.org. Can't post? Read http://www.gromacs.org/mailing_lists/users.php
