[gmx-users] regarding ligands in proteins

[David van der Spoel]

On Wed, 24 Oct 2001, Luke Czapla wrote:

>
>I forgot to mention one thing, I generated the PRODRG output by cutting
>out the GLC (glucose) lines from the PDB file for my 2GBP (Glucose Binding
>Protein) crystallographic structure and put those lines into PRODRG with
>energy minimization off.
CS1 is in the ffgmx force field, but for some reason not in the newer
ffG43a1 force field. Don't know why.

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
++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++++