Generated 65937 of the 100128 1-4 parameter combinations
ERROR 1 [file 73568.itp, line 505]:
No default Proper Dih. types
Excluding 3 bonded neighbours molecule type 'Protein_chain_A'
Excluding 3 bonded neighbours molecule type 'Protein_chain_B'
Excluding 3 bonded neighbours molecule type '73568'
Excluding 2 bonded neighbours molecule type 'SOL'
NOTE 2 [file topol.top, line 53]:
System has non-zero total charge: -25.999985
Total charge should normally be an integer. See
http://www.gromacs.org/Documentation/Floating_Point_Arithmetic
for discussion on how close it should be to an integer.
Removing all charge groups because cutoff-scheme=Verlet
There were 2 notes
-------------------------------------------------------
Program gmx grompp, VERSION 5.1.1
Source code file: /home/ravinder/Softwares/gromacs/gromacs-5.1.1/src/gromacs/gmxpreprocess/grompp.c, line: 1738
Fatal error:
There was 1 error in input file(s)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
- Badges
- Science topic
- Similar topics
- Filing