[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,
-Arnold
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