On 21/09/2012 11:35 AM, Rajiv Gandhi wrote:
Dear all gromacs users,
In myoglobin system, how we can cut the bond between Fe-C to produce the
photodissociation through MD?.
By not making it in your topology. Whatever procedure you follow for
making the other Fe-C interactions needs to differ from the one you wish
to model the cleaved bond.
Mark
I have seen there are number of studies over photodissociation and also
I believe that people have used their appropriate parameterization files to
cut these bond.
I am struct with this parameter and cutting bond process. It would be
really appreciated if anyone can give some suggestion/information about
this. Thanks a lot.
Sincerely
Rajiv
--
gmx-users mailing list gmx-users@gromacs.org
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 gmx-users-requ...@gromacs.org.
* Can't post? Read http://www.gromacs.org/Support/Mailing_Lists
