Chlorophyll Modeling

[Zhang Zhicheng]

Hello All,

    I recently want do some research on chlorophyll. I use the GROMOS
force field to build the model, but the molecular topology building
block in GROMOS package doesn't contain this chlorophyll, I have to
establish the topology by myself.

    In order to build the topology correctly, I must assign the charge
of each atoms in chlorophyll. But I don't know how and where to get
the charge data. Can anybody help me ?



Best regards,
 Qiao Li-An

Department of Biological Sciences and Technology,
Tsinghua University,  P.R.China ,  100084


mailto:dbszzc at mail.tsinghua.edu.cn