[gmx-users] pdb2gmx and his-heme group

Anthony Cruz Balberdi acb15885 at uprm.edu
Wed Jan 17 11:27:45 CET 2007

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 . 

	Antes ahora y siempre COLEGIO
	University of Puerto Rico at Mayaguez

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