[gmx-users] heterochiral peptides ??

David van der Spoel spoel at xray.bmc.uu.se
Tue Apr 30 21:19:20 CEST 2002

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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