i copy my heme .prm file in amber/dat/leap/parm
and .in file for heme into the location of amber/dat/prep folder
now how i access it on leap program to generate prmtop file for system that
containg heme too. because now i placed the heme specific file in the above
folder
On Wed, Jun 28, 2017 at 1:11 AM, Rana Rehan Khalid <rrkhalid.umich.edu>
wrote:
> Yes sir see that but i have the force field .prm for amber heme Fe---O2
> and i want to know that how i use it with the amber buitin ff to generate
> the inpcrd and prmtop file
>
> I paste heme force field into which folder?? so that i can access as we
> source some force field like ff14SB it to read my system
>
>
>
> On Wed, Jun 28, 2017 at 12:27 AM, Elvis Martis <elvis.martis.bcp.edu.in>
> wrote:
>
>> Hi,
>>
>> Please read this post http://archive.ambermd.org/201605/0267.html
>>
>> Re: [AMBER] How to deal with Heme? from Abelak, Kavin on ...<
>> http://archive.ambermd.org/201605/0267.html>
>> archive.ambermd.org
>> From: Abelak, Kavin Date: Wed, 18 May 2016 12:16:32 +0000 Hi Morteza,
>> I’ve been doing some simulations on CYPs and using HEME parameters from ...
>>
>>
>>
>>
>> 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-wqOl
>> XSGjbmEyga9C8lmU1bs-_yPIq3CnazA5eJVDYjce1r-34uwxqjjRnmAtE473
>> lEq28nSHQ=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: 28 June 2017 09:24:07
>> To: AMBER Mailing List
>> Subject: [AMBER] how can i use two force field one is ff14sb other is not
>> in leaprc source to produce prmtop and inpcrd files for protein
>>
>> I am working on heme containing protein i have separate force field for
>> heme fe---02 how can i use it to prepare initial coordinate file and
>> prmtop
>> file for my heme containing system.
>>
>>
>> Thanks
>> _______________________________________________
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>>
>
>
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Received on Tue Jun 27 2017 - 23:00:03 PDT
