Preeti Gupta wrote:
To all gromacs user,
I m trying the KALP15 in water tutorial, in which at the second command
"grompp -f minim.mdp -c dppc128.gro -p topol_dppc.top -o em.tpr", i have
got the following error:
ERROR 1 [file dppc.itp, line 112]:
No default LJ-14 types
You haven't properly constructed the necessary force field files, hence all of
these atom types are going unrecognized.
-Justin
ERROR 2 [file dppc.itp, line 113]:
No default LJ-14 types
ERROR 3 [file dppc.itp, line 114]:
No default LJ-14 types
ERROR 4 [file dppc.itp, line 115]:
No default LJ-14 types
ERROR 5 [file dppc.itp, line 116]:
No default LJ-14 types
ERROR 6 [file dppc.itp, line 117]:
No default LJ-14 types
ERROR 7 [file dppc.itp, line 118]:
No default LJ-14 types
ERROR 8 [file dppc.itp, line 119]:
No default LJ-14 types
ERROR 9 [file dppc.itp, line 120]:
No default LJ-14 types
ERROR 10 [file dppc.itp, line 121]:
No default LJ-14 types
ERROR 11 [file dppc.itp, line 122]:
No default LJ-14 types
ERROR 12 [file dppc.itp, line 123]:
No default LJ-14 types
ERROR 13 [file dppc.itp, line 124]:
No default LJ-14 types
ERROR 14 [file dppc.itp, line 125]:
No default LJ-14 types
ERROR 15 [file dppc.itp, line 126]:
No default LJ-14 types
ERROR 16 [file dppc.itp, line 127]:
No default LJ-14 types
ERROR 17 [file dppc.itp, line 128]:
No default LJ-14 types
ERROR 18 [file dppc.itp, line 129]:
No default LJ-14 types
ERROR 19 [file dppc.itp, line 130]:
No default LJ-14 types
ERROR 20 [file dppc.itp, line 131]:
No default LJ-14 types
ERROR 21 [file dppc.itp, line 132]:
No default LJ-14 types
ERROR 22 [file dppc.itp, line 133]:
No default LJ-14 types
ERROR 23 [file dppc.itp, line 134]:
No default LJ-14 types
ERROR 24 [file dppc.itp, line 135]:
No default LJ-14 types
ERROR 25 [file dppc.itp, line 136]:
No default LJ-14 types
ERROR 26 [file dppc.itp, line 137]:
No default LJ-14 types
ERROR 27 [file dppc.itp, line 138]:
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
Excluding 3 bonded neighbours molecule type 'DPPC'
Excluding 2 bonded neighbours molecule type 'SOL'
-------------------------------------------------------
Program grompp, VERSION 4.5.4
Source code file: grompp.c, line: 1370
Fatal error:
There were 29 errors in input file(s)
For more information and tips for troubleshooting, please check the GROMACS
website at http://www.gromacs.org/Documentation/Errors
-------------------------------------------------------
can anybody solve this problem.
thanks in advace.
preeti
--
========================================
Justin A. Lemkul
Ph.D. Candidate
ICTAS Doctoral Scholar
MILES-IGERT Trainee
Department of Biochemistry
Virginia Tech
Blacksburg, VA
jalemkul[at]vt.edu | (540) 231-9080
http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin
========================================
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