[gmx-users] heterochiral peptides ??

[David van der Spoel]

On Tue, 30 Apr 2002, Yuguang Mu wrote:

>Dear  SIr/Madam,
>I have a question,
>Will I have problems when use standard GROMOS force fields to 
>simulate heterochiral peptides, such as  ALA- (D)ALA -PHE -???
>in water ?
This will work fine but you manually have to adpat the topology. Basically
it's just the sign for the improper regulating the Ca chirality.


Groeten, David.
________________________________________________________________________
Dr. David van der Spoel, 	Biomedical center, Dept. of Biochemistry
Husargatan 3, Box 576,  	75123 Uppsala, Sweden
phone:	46 18 471 4205		fax: 46 18 511 755
spoel at xray.bmc.uu.se	spoel at gromacs.org   http://zorn.bmc.uu.se/~spoel
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