[gmx-users] Graphene

‪Mohammad Roostaie‬ ‪ mohammad.r0325 at yahoo.com
Tue May 23 14:06:04 CEST 2017

I simulated the graphene by using this link "http://www.gromacs.org/Documentation/How-tos/Carbon_Nanotube". Then, I solvated it in water using 'gmx solvate' command. But, when I wanted to add ions in the media by using 'gmx grompp' command, I got this error:...ERROR 6383 [file graphene1110v.top, line 48377]:  No default Proper Dih. types

ERROR 6384 [file graphene1110v.top, line 48378]:  No default Proper Dih. types

ERROR 6385 [file graphene1110v.top, line 48379]:  No default Proper Dih. types
Excluding 3 bonded neighbours molecule type 'graphene'Removing all charge groups because cutoff-scheme=Verlet
There was 1 note
-------------------------------------------------------Program gmx grompp, VERSION 5.1.4Source code file: /home/jemmyhu/work/software/gromacs/gromacs-5.1.4/src/gromacs/gmxpreprocess/grompp.c, line: 1738
Fatal error:There were 6385 errors in input file(s)For more information and tips for troubleshooting, please check the GROMACSwebsite at http://www.gromacs.org/Documentation/Errors
Can you please help me?

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