[gmx-users] Parameters for Mn2+ ions coordinated with carboxylate

Marc Baaden baaden at smplinux.de
Tue Nov 19 19:04:52 CET 2002


nelilma at far.fiocruz.br said:
>> Dear all,
>>        Does anyone have any idea where I can get force field
>> parameters for  Mn2+ ions coordinated to carboxylate-type oxygens??? I
>> will be very grateful  if anyone can help... . 

there are some Mn2+ parameters at http://pharmacy.man.ac.uk/amber/
but you'd have to check the corresponding paper whether they are
suitable for coordination of carboxylate groups.


 Dr. Marc Baaden - Laboratory of Molecular Biophysics, Oxford University
 mailto:baaden at smplinux.de  - ICQ# 11466242 -  http://www.marc-baaden.de
 FAX/Voice +49 697912 39550  -  Tel: +44 1865 275380  or  +33 609 843217

More information about the gromacs.org_gmx-users mailing list