[gmx-users] D-amino acids simulation

Arnold Perez Goicochea sciarnold at yahoo.com
Mon Feb 20 16:04:05 CET 2006

   Dear All,

I am planning to perform MD simulations with some D-amino acids. I normally use OPLS-AA with GROMACS 3.2.1, but I think it won't work if D-amino acids  are used. The FF torsion potential would not be suitable for those aminoacids. 

Should I use the OPLS with D-amino acids? or would be better to use another force field?, or in the case no FF is suitable, which kind of modifications should I do on it??

Thank you in advance for your valuable help,

 Yahoo! Mail
 Use Photomail to share photos without annoying attachments.
-------------- next part --------------
An HTML attachment was scrubbed...
URL: <http://maillist.sys.kth.se/pipermail/gromacs.org_gmx-users/attachments/20060220/b0acac2a/attachment.html>

More information about the gromacs.org_gmx-users mailing list