[gmx-users] Customize gromac FF for lipid parameters

[Justin Lemkul]

On 1/30/20 3:02 PM, Yogesh Sharma wrote:
> Hey everyone,
> I have a membrane patch generated by charmm gui. I want to customize my
> gromac forcefield in accordance with it. I want some suggestion in
> extracting information from charmmff. I guess i need information to add in
> ffbonded and ffnonbonded files. Can someone help me with it
>
> I don't want to run simulations in charmmff
>

I don't understand what you're trying to do. You want to add parameters 
to the CHARMM force field but you don't want to use CHARMM? If you want 
to use different parameters or a different force field, don't hack an 
existing one. There's no reason to do that.

-Justin

-- 
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Justin A. Lemkul, Ph.D.
Assistant Professor
Office: 301 Fralin Hall
Lab: 303 Engel Hall

Virginia Tech Department of Biochemistry
340 West Campus Dr.
Blacksburg, VA 24061

jalemkul at vt.edu | (540) 231-3129
http://www.thelemkullab.com

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