[gmx-users] problem with topolbuild execution

[subarna thakur]

Hello
I am trying to generate a .itp file of a Fe4S4 cluster from mol2 file with the help of topolbuild1_2_1 programm but a error is comming during execution stating "Illegal characters for size information line". I dont know what is wrong with the input file. I am giving here the input mol2 file I am using-
 
--------------------------------------------------------------------------
@<TRIPOS>MOLECULE
SF4_ideal.pdb
8 12 0 0 0
SMALL
GASTEIGER
Energy = 0
@<TRIPOS>ATOM
1 FE1 -0.1560 1.1840 1.4740 Fe 1 SF41 0.2771
2 FE2 1.4550 -1.1820 0.2890 Fe 1 SF41 0.2779
3 FE3 0.3020 0.9990 -1.5840 Fe 1 SF41 0.2526
4 FE4 -1.6010 -1.0010 -0.1800 Fe 1 SF41 0.2284
5 S1 0.1560 -1.1840 -1.4740 S.3 1 SF41 0.2379
6 S2 -1.4550 1.1820 -0.2890 S.3 1 SF41 0.2356
7 S3 -0.3020 -0.9990 1.5840 S.3 1 SF41 0.2487
8 S4 1.6010 1.0010 0.1800 S.3 1 SF41 0.2414
@<TRIPOS>BOND
1 1 6 1
2 1 7 1
3 1 8 1
4 2 5 1
5 2 7 1
6 2 8 1
7 3 5 1
8 3 6 1
9 3 8 1
10 4 5 1
11 4 6 1
12 4 7 1
@<TRIPOS>
---------------------------------------------------------------
 
Please suggest the changes I should make in the input file to execute the topolbuild programm
 
Regards
Subarna Thkaur


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