[gmx-users] pdb2gmx and his-heme group

[Anthony Cruz Balberdi]

Hi user: 
 
Today I have been working with a heme protein and I notice that in the topology the parameters that include the His 
(NE2) and the heme (FE) were not present in the topology (bon type, angle type, etc). Also when I check the topology 
after grompp (-pp) this file also do not include the parameters. This is normal?? I am using gromacs 3.2.1 . 
 
Thanks  
 
Anthony 
 
 
 

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	Antes ahora y siempre COLEGIO
	University of Puerto Rico at Mayaguez
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