Check the Users' Contributions site. I believe there are some utilities for converting between AMBER and GROMACS formats.
-Justin Quoting Eddie Mende <[EMAIL PROTECTED]>: > Hello > > I just found a page with amber forcefield parameters for phosphohistidine > however these are to be used by the AMBER program > Is it easy (or is there any util) that I can use to translate parameters > form one > format into another?. > > > Eduardo > Justin A. Lemkul wrote: > > Eduardo, > > > > To my knowledge, no parameters exist for phosphorylated histidine. You > will > > have to derive them in a manner consistent with the original forcefield. > If > > you are interested in breaking the His-PO3 bond, you will need to do some > > fairly rigorous QM/MM, for which an all-atom force field is the only way to > go > > (Amber or OPLSAA). Sorry to say, I do not have parameters available for > either > > of these force fields that include your phosphorylated species. > > > > -Justin > _______________________________________________ > gmx-users mailing list [email protected] > http://www.gromacs.org/mailman/listinfo/gmx-users > Please search the archive at http://www.gromacs.org/search before posting! > Please don't post (un)subscribe requests to the list. Use the > www interface or send it to [EMAIL PROTECTED] > Can't post? Read http://www.gromacs.org/mailing_lists/users.php > ======================================== Justin A. Lemkul Graduate Research Assistant Department of Biochemistry Virginia Tech Blacksburg, VA [EMAIL PROTECTED] | (540) 231-9080 http://www.bevanlab.biochem.vt.edu/Pages/Personal/justin/ ======================================== _______________________________________________ gmx-users mailing list [email protected] http://www.gromacs.org/mailman/listinfo/gmx-users Please search the archive at http://www.gromacs.org/search before posting! Please don't post (un)subscribe requests to the list. Use the www interface or send it to [EMAIL PROTECTED] Can't post? Read http://www.gromacs.org/mailing_lists/users.php
