[gmx-users] Can I delete Mn^2+ ion from a protein molecule and then run MD?

[Hu Zhongqiao]

Dear All,
I want to do MD for a protein crystal containing Mn^2+ ion. Because
gromacs has not provided the force field for Mn^2+ ion, I want simply
delete Mn ion and then run MD. Will this lead any consequences making
the MD results unacceptable?  If so, what else should I do instead? 
 
Zhongqiao Hu
 
Lab E5-04-27
Tel: 65161946(O)
Department of Chemical and Biomolecular Engineering
National University of Singapore
117576, Singapore
 
 
-------------- next part --------------
An HTML attachment was scrubbed...
URL: http://www.gromacs.org/pipermail/gmx-users/attachments/20061109/910b54bb/attachment.html