[gmx-users] copper and His residues
ljin1988 at 126.com
Tue Jan 3 17:43:30 CET 2012
Hello, I am a beginner of Gromacs, and I am working with enzyme that contains two Cu2+ ions in the active site. I have found two solution to treat copper ions and surrounding His residues. First solution is adding position restrain to these ions, while the second one is defining bonds between copper ions and surrounding His residues. I just wonder about which one should I adopt?
Thanks very much.
-------------- next part --------------
An HTML attachment was scrubbed...
More information about the gromacs.org_gmx-users