[gmx-users] PH 5.0 ?

Chih-Ying Lin chihying2008 at gmail.com
Thu Jan 21 21:33:37 CET 2010

How to assign charge for the residue of protein at PH 5.0 ?

I have Ka values of each residue of protein then i can calculate the overall
charge for each residue at PH 5.0 solution.

However, how to calculate the partial charges of atoms within the residue of
protein at PH 5.0?

Thank you
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20100121/0b22cf30/attachment.html>

More information about the gromacs.org_gmx-users mailing list