From: Abhilash J <md.scfbio.gmail.com>
Date: Mon, 6 Mar 2017 14:04:14 +0530
Hi everyone,
I need to make one prepin file and one frcmod file for HEME, like the
one in Bryce database of AMBER parameters (
http://personalpages.manchester.ac.uk/staff/Richard.Bryce/amber/cof/heme_all.in).
I was able to prepare the HEME group as mentioned in MCPB tutorial (
http://ambermd.org/tutorials/advanced/tutorial20/mcpbpy_heme.htm). I am
attaching the mol2, frcmod and other relevent files generated. I want to
understand how i can prepare prepin and frcmod files joining the mol2 files
of HEME ring and Iron.
I tried using parameters from Bryce database but it is giving error
when i load them in tleap
