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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sf4.mol2
Description: Binary data
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