[gmx-users] regarding ligands in proteins
David van der Spoel
spoel at xray.bmc.uu.se
Wed Oct 24 15:35:43 CEST 2001
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.
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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