Check if you have all group types in your mdp file. Ciao, Luciano Dr. Luciano Triguero College of Art and Science Department of Physics and Chemistry Cox Science Building 1301 Memorial Drive, Room 146 P.O Box 249118 Coral Gables, FL 33124-0431 Cellular: 305-904-2419 Office: 305-284-3938
________________________________ From: [EMAIL PROTECTED] on behalf of Robert Selwyne Sent: Mon 4/2/2007 10:40 AM To: [email protected] Subject: [gmx-users] topology doesnt match Dear GMX users When i tried to rum grompp i get these errors. Would any one be able to sort out this problem? Sincerely Robert ------------------------------------------------------------------------------------------------- grompp -v -f adp.mdp -po adpmdout.mdp -c genbox.gro -p genbox.top -o gromppout.tpr creating statusfile for 1 node... Back Off! I just backed up adpmdout.mdp to ./#adpmdout.mdp.1# checking input for internal consistency... calling /lib/cpp... processing topology... Generated 279 of the 1225 non-bonded parameter combinations Excluding 3 bonded neighbours for Protein 1 WARNING 1 [file "genbox.top", line 283]: System has non-zero total charge: -3.000000e+00 processing coordinates... Fatal error: number of coordinates in coordinate file (genbox.gro, 3516) does not match topology (genbox.top, 33) -------------------------------------------------------------------------------------------------------- _______________________________________________ gmx-users mailing list [email protected] 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
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_______________________________________________ gmx-users mailing list [email protected] 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 [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
