[gmx-users] Re: HEME Charmm Force field in Gromacs format

Pär Bjelkmar bjelkmar at cbr.su.se
Sat Nov 27 12:24:34 CET 2010


You should install the 4.5.3 version of GROMACS which has support for heme (see gromacs homepage).

Pär Bjelkmar

27 nov 2010 kl. 06.12 skrev shahid nayeem:

> Hi 
> I am need of charmm27 forcefield in gromacs form. I am trying to simulate heme protein which is bonded to MET S and HIS N. Please help me. I downloaded the files from site but these do not have topology of heme. waiting for your response.
> Shahid Nayeem
> Ph. D student
> IIT Delhi
> India

Pär Bjelkmar, Ph.D. student		

Stockholm Center for Biomembrane Research (CBR),
Stockholm Bioinformatics Center (SBC),
Department of Biochemistry and Biophysics (DBB),
Stockholm University

Tel: 	+46-8-16 2746			
Fax: +46-8-15 3679			
E-mail: bjelkmar at cbr.su.se	
Home: http://www.dbb.su.se/User:Bjelkmar		

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