Dear Mark, Thanks for responding.
I am new to Gromacs. I am working on Cytochrome P 450 proteins, these proteins contain HEME group. For MD run should I prepare separate protein and HEME group topologies and reconstruct protein-HEME complex. Is this procedure is correct or not. nirmal On 1/9/12, Mark Abraham <[email protected]> wrote: > On 9/01/2012 6:42 PM, Nirmal Prasad wrote: >> Hello, >> >> I am working on Heme containing proteins, is it necessary to treat >> Heme group as Ligand. > > What do you mean by "treating as a ligand"? > > Mark > -- > gmx-users mailing list [email protected] > http://lists.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at > http://www.gromacs.org/Support/Mailing_Lists/Search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [email protected]. > Can't post? Read http://www.gromacs.org/Support/Mailing_Lists > -- gmx-users mailing list [email protected] http://lists.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/Support/Mailing_Lists/Search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [email protected]. Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
