From: Eduard Schreiner (eschrein_at_ks.uiuc.edu)
Date: Fri Jul 29 2011 - 04:27:39 CDT
that should be ok. The only difference between D- and L- forms is the sign
of the improper at the chiral center. The FF supports both enantiomers;
actually, it just does not care. My experience shows that errors in
chirality persist throughout the simulation.
You may also be interested in the folowing paper we published recently
Stereochemical errors and their implications to molecular dynamics
simulations, *BMC Bioinform.*, *12*, 190 (2011)
DOI: 10.1186/1471-2105-12-190
eddi
Dear:
>
> I've got two D-amino acid residues in my protein and I am wondering will
> it suitable to use related L-amino acid CHARMM parameters (such as bond
> length, angle, constrain force )for these D-amino residues?
>
> Thank you very much
>
>
This archive was generated by hypermail 2.1.6 : Wed Feb 29 2012 - 15:57:31 CST