[gmx-users] help
玻耳兹曼
2719217002 at qq.com
Mon Oct 20 15:24:00 CEST 2014
dear all
I am new in gromacs .I got an error while running the tutorial of KALP15 in DPPC . I issue a command ;
grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr , and i received a fatal error :
Back Off! ....
Generated 837 of the 2346 non-bonded parameter combinations
ERROR 1 [file dppc.itp, line 112]:
No default LJ-14 types
ERROR 2 [file dppc.itp, line 113]:
No default LJ-14 types
.......
ERROR 28 [file dppc.itp, line 139]
No default LJ-14 types
ERROR 29 [file dppc.itp, line 140]
No default LJ-14 types
Fatal error:
There were 29 errors in input file
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
what can i do.
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