[gmx-users] heme

[shahid nayeem]

Dear all
I am trying MD of cyt C containing heme. I am able to generate bonds with
specbond.dat by pdb2gmx. After using editconf and genbox, when I tried
grompp I got error about unrecognized bonds/angles. I made bond with MET SD
and FE of Heme. As earlier suggested on this list I wrote to get parameter
for these bonds but I couldnt get it. If someone on this mailing list can
help me I will be grateful. Cyt C is very widely modelled protein with
Gomacs in literature hence I expect to get some help from the forum.
shahid nayeem
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