Hi,
I am not sure about Heme-NO system but yes for HEME-O2 system.
Best Regards
[photo]
Elvis Martis
Ph.D. Student (Computational Chemistry)
at Bombay College of Pharmacy
A Kalina, Santacruz [E], Mumbai 400098, INDIA
W www.elvismartis.in<
https://webapp.wisestamp.com/www.elvismartis.in>
Skype. adrian_elvis12<
https://webapp.wisestamp.com/#>
[
https://ci3.googleusercontent.com/proxy/P0F8-p0kwxKdscp6zsT-ZSRttk9OJEsBGiaXej_H2ERz8n2ma5SLHFAWJdKL-wqOlXSGjbmEyga9C8lmU1bs-_yPIq3CnazA5eJVDYjce1r-34uwxqjjRnmAtE473lEq28nSHQ=s0-d-e1-ft#https://s3.amazonaws.com/images.wisestamp.com/icons_for_colors_32/linkedin.png]<
http://www.linkedin.com/in/elvisadrianmartis/>
________________________________
From: Rana Rehan Khalid <rrkhalid.umich.edu>
Sent: 27 June 2017 07:33:23
To: AMBER Mailing List
Subject: Re: [AMBER] how heme force field combine with amber 99 ff
Is it work for heme Fe-----o2, and heme fe----NO bonds??
On Jun 26, 2017 9:24 PM, "Elvis Martis" <elvis.martis.bcp.edu.in> wrote:
> 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
>
> [photo]
>
>
>
> Elvis Martis
> Ph.D. Student (Computational Chemistry)
> at Bombay College of Pharmacy
>
>
> A Kalina, Santacruz [E], Mumbai 400098, INDIA
> W www.elvismartis.in<https://webapp.wisestamp.com/www.elvismartis.in>
> Skype. adrian_elvis12<https://webapp.wisestamp.com/#>
>
>
> [https://ci3.googleusercontent.com/proxy/P0F8-p0kwxKdscp6zsT-
> ZSRttk9OJEsBGiaXej_H2ERz8n2ma5SLHFAWJdKL-wqOlXSGjbmEyga9C8lmU1bs-_
> yPIq3CnazA5eJVDYjce1r-34uwxqjjRnmAtE473lEq28nSHQ=s0-
> d-e1-ft#https://s3.amazonaws.com/images.wisestamp.com/
> icons_for_colors_32/linkedin.png]<http://www.linkedin.com/
> in/elvisadrianmartis/>
>
>
>
>
>
> ________________________________
> 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 Tue Jun 27 2017 - 00:30:02 PDT
