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<div style="direction: ltr;font-family: Tahoma;color: #000000;font-size: 10pt;">Dear nirmal,<br>
try prodrg server for generating the topology file for the said pdb file. Here is the link.
<a href="http://davapc1.bioch.dundee.ac.uk/prodrg/" target="_blank">http://davapc1.bioch.dundee.ac.uk/prodrg/</a><br>
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<div style="direction: ltr;" id="divRpF172279"><font color="#000000" face="Tahoma" size="2"><b>From:</b> gmx-users-bounces@gromacs.org [gmx-users-bounces@gromacs.org] on behalf of Nirmal Prasad [nimmynirmal@gmail.com]<br>
<b>Sent:</b> Wednesday, January 11, 2012 9:45 AM<br>
<b>To:</b> Discussion list for GROMACS users<br>
<b>Subject:</b> [gmx-users] HEME topology<br>
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<div>Hello,<br>
<br>
Can any one send topology for Heme group..My work is stuckeup<br>
<br>
here are the PDB parameters for HEME<br>
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<br>
HETATM 3851 FE HEM 482 4.876 25.216 23.893 1.00 0.00 <br>
HETATM 3852 CHA HEM 482 5.264 25.759 20.480 1.00 0.00 <br>
HETATM 3853 CHB HEM 482 8.132 24.660 24.172 1.00 0.00 <br>
HETATM 3854 CHC HEM 482 4.480 24.399 27.195 1.00 0.00 <br>
HETATM 3855 CHD HEM 482 1.700 25.148 23.458 1.00 0.00 <br>
HETATM 3856 NA HEM 482 6.466 25.218 22.555 1.00 0.00 <br>
HETATM 3857 C1A HEM 482 6.439 25.484 21.193 1.00 0.00 <br>
HETATM 3858 C2A HEM 482 7.778 25.464 20.681 1.00 0.00 <br>
HETATM 3859 C3A HEM 482 8.610 25.197 21.767 1.00 0.00 <br>
HETATM 3860 C4A HEM 482 7.741 25.081 22.906 1.00 0.00 <br>
HETATM 3861 CMA HEM 482 10.215 25.091 21.758 1.00 0.00 <br>
HETATM 3862 CAA HEM 482 8.230 25.628 19.242 1.00 0.00 <br>
HETATM 3863 CBA HEM 482 8.574 27.061 18.804 1.00 0.00 <br>
HETATM 3864 CGA HEM 482 9.117 27.044 17.359 1.00 0.00 <br>
HETATM 3865 O1A HEM 482 9.982 27.831 17.013 1.00 0.00 <br>
HETATM 3866 O2A HEM 482 8.739 26.229 16.541 1.00 0.00 <br>
HETATM 3867 NB HEM 482 6.104 24.497 25.449 1.00 0.00 <br>
HETATM 3868 C1B HEM 482 7.444 24.359 25.345 1.00 0.00 <br>
HETATM 3869 C2B HEM 482 8.044 24.034 26.598 1.00 0.00 <br>
HETATM 3870 C3B HEM 482 6.961 23.930 27.496 1.00 0.00 <br>
HETATM 3871 C4B HEM 482 5.778 24.182 26.693 1.00 0.00 <br>
HETATM 3872 CMB HEM 482 9.563 23.973 26.877 1.00 0.00 <br>
HETATM 3873 CAB HEM 482 6.964 23.552 28.851 1.00 0.00 <br>
HETATM 3874 CBB HEM 482 8.069 23.513 29.865 1.00 0.00 <br>
HETATM 3875 NC HEM 482 3.315 24.748 25.179 1.00 0.00 <br>
HETATM 3876 C1C HEM 482 3.331 24.678 26.492 1.00 0.00 <br>
HETATM 3877 C2C HEM 482 2.053 24.644 27.006 1.00 0.00 <br>
HETATM 3878 C3C HEM 482 1.187 24.668 25.881 1.00 0.00 <br>
HETATM 3879 C4C HEM 482 2.053 24.742 24.763 1.00 0.00 <br>
HETATM 3880 CMC HEM 482 1.716 24.541 28.529 1.00 0.00 <br>
HETATM 3881 CAC HEM 482 -0.191 24.700 25.725 1.00 0.00 <br>
HETATM 3882 CBC HEM 482 -1.163 24.945 26.680 1.00 0.00 <br>
HETATM 3883 ND HEM 482 3.655 25.286 22.181 1.00 0.00 <br>
HETATM 3884 C1D HEM 482 2.373 25.199 22.282 1.00 0.00 <br>
HETATM 3885 C2D HEM 482 1.768 25.396 21.008 1.00 0.00 <br>
HETATM 3886 C3D HEM 482 2.780 25.600 20.124 1.00 0.00 <br>
HETATM 3887 C4D HEM 482 3.958 25.545 20.924 1.00 0.00 <br>
HETATM 3888 CMD HEM 482 0.252 25.372 20.693 1.00 0.00 <br>
HETATM 3889 CAD HEM 482 2.755 25.897 18.597 1.00 0.00 <br>
HETATM 3890 CBD HEM 482 2.710 27.455 18.272 1.00 0.00 <br>
HETATM 3891 CGD HEM 482 2.759 27.846 16.738 1.00 0.00 <br>
HETATM 3892 O1D HEM 482 2.411 29.018 16.323 1.00 0.00 <br>
HETATM 3893 O2D HEM 482 3.210 26.948 15.911 1.00 0.00 <br>
TER 3894 HEM 482 <br>
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<br>
thanks in advance<br>
<br>
nirmal<br>
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