Re: [AMBER] how heme force field combine with amber 99 ff

From: Elvis Martis <elvis.martis.bcp.edu.in>
Date: Tue, 27 Jun 2017 01:24:08 +0000

Hi,

In the latest version of Ambertools, all necessary files (prepin and frcmod) to work with Heme-containing systems are given. Consider upgrading to Ambertools17.


                   Best Regards

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Elvis Martis
Ph.D. Student (Computational Chemistry)
 at Bombay College of Pharmacy


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________________________________
From: Rana Rehan Khalid <rrkhalid.umich.edu>
Sent: 27 June 2017 02:14:56
To: amber.ambermd.org
Subject: [AMBER] how heme force field combine with amber 99 ff

Hi everyone my protein consist of heme FE ----O2 ligand i have parameter
file .prm for heme fe bonded type with O2 how i can use this separate heme
file for fe--02 bond and merge it to rest of protein file. or can i merge
it to amber99 ff if yes then how so in that way complex can be study easily
rather then i deal with the heme and protein separately and then merge
which method i can use.
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Received on Mon Jun 26 2017 - 18:30:04 PDT