[gmx-users] heme group in protein

David van der Spoel spoel at xray.bmc.uu.se
Tue Apr 9 12:43:30 CEST 2002

On Tue, 9 Apr 2002, Maija Lahtela wrote:

>I tried this by changing the pdb file name HEM to HEME before I run
>pdb2gmx without luck.  pdb2gmx is not recognizing the heme group.    
What I meant is that spacing is important. You may have to shift the HEME 
residue name a character to the left or to the right.

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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