[gmx-users] incomplete topology for graphene
sagar bathla
sagarbathla4 at gmail.com
Tue Sep 4 12:39:12 CEST 2018
Dear all,
I am trying to make topology file for graphene.
I took help from andrea minoia tutorial and i have been following the steps
but i am getting this type of error.
ERROR 418 [file test.top, line 8721]:
No default Ryckaert-Bell. types
ERROR 419 [file test.top, line 8722]:
No default Ryckaert-Bell. types
ERROR 420 [file test.top, line 8723]:
No default Ryckaert-Bell. types
Excluding 3 bonded neighbours molecule type 'GRA'
Excluding 2 bonded neighbours molecule type 'SOL'
Removing all charge groups because cutoff-scheme=Verlet
There was 1 note
-------------------------------------------------------
Program: gmx grompp, version 2016.5
Source file: src/gromacs/gmxpreprocess/grompp.cpp (line 1942)
Fatal error:
There were 420 errors in input file(s)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
It seems like there are some default angle types, dihedral types are
missing.
please help me to fix this problem.
Regards
Sagar
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